BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 50375951 Cc1ccc(cc1)S(=O)(=O)NC[C@H]1O[C@@H](O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O InChI=1S/C22H24Cl2N2O7S/c1-12-2-6-14(7-3-12)34(31,32)25-11-17-20(28)21(29)19(22(30)33-17)26-18(27)9-5-13-4-8-15(23)16(24)10-13/h2-10,17,19-22,25,28-30H,11H2,1H3,(H,26,27)/b9-5+/t17-,19-,20-,21-,22-/m1/s1 QYROCIZAUONYDT-VVNAIZANSA-N 50103565 CHEMBL3335788 Hexokinase-2 >316 ChEMBL 10.1016/j.bmcl.2014.09.041 10.7270/Q25Q4XV9 25288186 Granchi, C; Fancelli, D; Minutolo, F Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103565&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 118714691 319492590 CHEMBL3335788 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495743 OC[C@H]1OC(O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O InChI=1S/C15H17Cl2NO6/c16-8-3-1-7(5-9(8)17)2-4-11(20)18-12-14(22)13(21)10(6-19)24-15(12)23/h1-5,10,12-15,19,21-23H,6H2,(H,18,20)/b4-2+/t10-,12-,13-,14-,15?/m1/s1 ZBHWRKZTEDNOAJ-XDGHFRMESA-N 50169013 CHEMBL3805703 Hexokinase-2 6300 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169013&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 67974531 341104686 CHEMBL3805703 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495744 OC[C@H]1OC(O)[C@H](NC(=O)c2ccc(cc2)-c2ccccc2)[C@@H](O)[C@@H]1O InChI=1S/C19H21NO6/c21-10-14-16(22)17(23)15(19(25)26-14)20-18(24)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,21-23,25H,10H2,(H,20,24)/t14-,15-,16-,17-,19?/m1/s1 CMJDFSMZQLPHGD-ROYKXYEVSA-N 50169014 CHEMBL3806183 Hexokinase-2 16000 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169014&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127050129 341104687 CHEMBL3806183 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495745 OC[C@H]1OC(O)[C@H](NC(=O)c2cccc(c2)-c2ccccc2)[C@@H](O)[C@@H]1O InChI=1S/C19H21NO6/c21-10-14-16(22)17(23)15(19(25)26-14)20-18(24)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-17,19,21-23,25H,10H2,(H,20,24)/t14-,15-,16-,17-,19?/m1/s1 YPDPEMBICCTKBU-ROYKXYEVSA-N 50169015 CHEMBL3805460 Hexokinase-2 3200 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169015&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127048545 341104688 CHEMBL3805460 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495746 OC[C@H]1OC(O)[C@H](NC(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(cc2)C#N)[C@@H](O)[C@@H]1O InChI=1S/C21H19F3N2O6/c22-21(23,24)14-6-12(11-3-1-10(8-25)2-4-11)5-13(7-14)19(30)26-16-18(29)17(28)15(9-27)32-20(16)31/h1-7,15-18,20,27-29,31H,9H2,(H,26,30)/t15-,16-,17-,18-,20?/m1/s1 COPQJIWLCNSFTH-PCMBYBMQSA-N 50169017 CHEMBL3804930 Hexokinase-2 790 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169017&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127048546 341104689 CHEMBL3804930 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495747 OC[C@H]1OC(O)[C@H](NC(=O)C=C2CCC(CC2)C(F)(F)F)[C@@H](O)[C@@H]1O InChI=1S/C15H22F3NO6/c16-15(17,18)8-3-1-7(2-4-8)5-10(21)19-11-13(23)12(22)9(6-20)25-14(11)24/h5,8-9,11-14,20,22-24H,1-4,6H2,(H,19,21)/b7-5-/t8?,9-,11-,12-,13-,14?/m1/s1 QQPRUPZUZCUVJV-FZUIHZDBSA-N 50169018 CHEMBL3804924 Hexokinase-2 16000 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169018&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127048547 341104690 CHEMBL3804924 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495748 OC[C@H]1OC(O)[C@H](NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)[C@@H](O)[C@@H]1O InChI=1S/C13H15N3O10/c17-4-8-10(18)11(19)9(13(21)26-8)14-12(20)5-1-6(15(22)23)3-7(2-5)16(24)25/h1-3,8-11,13,17-19,21H,4H2,(H,14,20)/t8-,9-,10-,11-,13?/m1/s1 GNVPUHGUOBDPSL-FGDGVPSKSA-N 50169019 CHEMBL3805765 Hexokinase-2 2000 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169019&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 88537798 341104691 CHEMBL3805765 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495749 COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)\C=C\c1ccc(Cl)c(Cl)c1 InChI=1S/C16H19Cl2NO6/c1-24-16-13(15(23)14(22)11(7-20)25-16)19-12(21)5-3-8-2-4-9(17)10(18)6-8/h2-6,11,13-16,20,22-23H,7H2,1H3,(H,19,21)/b5-3+/t11-,13-,14-,15-,16?/m1/s1 KYEAJBCDOXSFNK-OFRTXUDVSA-N 50169020 CHEMBL3805806 Hexokinase-2 >400000 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169020&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 67974101 341104692 CHEMBL3805806 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495750 OC[C@H]1OC[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O InChI=1S/C15H17Cl2NO5/c16-9-3-1-8(5-10(9)17)2-4-13(20)18-11-7-23-12(6-19)15(22)14(11)21/h1-5,11-12,14-15,19,21-22H,6-7H2,(H,18,20)/b4-2+/t11-,12+,14+,15+/m0/s1 MDRADRFVHCEAIO-ALMBQQNPSA-N 50169022 CHEMBL3805752 Hexokinase-2 >400000 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169022&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127052625 341104693 CHEMBL3805752 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495751 OC1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C25H26N2O7S/c28-22-20(15-26-35(32,33)19-12-5-2-6-13-19)34-25(31)21(23(22)29)27-24(30)18-11-7-10-17(14-18)16-8-3-1-4-9-16/h1-14,20-23,25-26,28-29,31H,15H2,(H,27,30)/t20-,21-,22-,23-,25?/m1/s1 VBRJQJSSBBQIMY-OQPYTZTLSA-N 50169023 CHEMBL3805753 Hexokinase-2 790 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169023&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 57411333 341104694 CHEMBL3805753 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495752 Cc1ccc(cc1)S(=O)(=O)NC[C@H]1OC(O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O InChI=1S/C22H24Cl2N2O7S/c1-12-2-6-14(7-3-12)34(31,32)25-11-17-20(28)21(29)19(22(30)33-17)26-18(27)9-5-13-4-8-15(23)16(24)10-13/h2-10,17,19-22,25,28-30H,11H2,1H3,(H,26,27)/b9-5+/t17-,19-,20-,21-,22?/m1/s1 QYROCIZAUONYDT-UDOUVNBHSA-N 50169025 CHEMBL3806250 Hexokinase-2 2000 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169025&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 67974063 341104695 CHEMBL3806250 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495753 OC1O[C@H](CNS(=O)(=O)c2ccccc2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C25H25ClN2O7S/c26-18-11-4-5-12-20(18)36(33,34)27-14-19-22(29)23(30)21(25(32)35-19)28-24(31)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-13,19,21-23,25,27,29-30,32H,14H2,(H,28,31)/t19-,21-,22-,23-,25?/m1/s1 IHJLHPKDAHRLLB-XVBLYABRSA-N 50169026 CHEMBL3805148 Hexokinase-2 100 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169026&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127052626 341104696 CHEMBL3805148 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495754 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C25H25ClN2O7S/c26-18-10-5-11-19(13-18)36(33,34)27-14-20-22(29)23(30)21(25(32)35-20)28-24(31)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,20-23,25,27,29-30,32H,14H2,(H,28,31)/t20-,21-,22-,23-,25?/m1/s1 POFDPQACEBXYOE-OQPYTZTLSA-N 50169028 CHEMBL3805598 Hexokinase-2 320 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169028&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127052627 341104697 CHEMBL3805598 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495755 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C25H24Cl2N2O7S/c26-17-10-5-11-19(20(17)27)37(34,35)28-13-18-22(30)23(31)21(25(33)36-18)29-24(32)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-23,25,28,30-31,33H,13H2,(H,29,32)/t18-,21-,22-,23-,25?/m1/s1 IXEYHLHOLROZNK-BVGQCQFASA-N 50169031 CHEMBL3805905 Hexokinase-2 25 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169031&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127052916 341104698 CHEMBL3805905 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495756 OC1O[C@H](CNS(=O)(=O)c2cnccc2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C24H24ClN3O7S/c25-17-9-10-26-13-19(17)36(33,34)27-12-18-21(29)22(30)20(24(32)35-18)28-23(31)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-11,13,18,20-22,24,27,29-30,32H,12H2,(H,28,31)/t18-,20-,21-,22-,24?/m1/s1 OZOZQIXWXYGYTG-DWRINVRQSA-N 50169032 CHEMBL3805398 Hexokinase-2 100 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169032&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127051361 341104699 CHEMBL3805398 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495757 OC1O[C@H](CNS(=O)(=O)c2ccc(cc2)C#N)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C26H25N3O7S/c27-14-16-9-11-20(12-10-16)37(34,35)28-15-21-23(30)24(31)22(26(33)36-21)29-25(32)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-13,21-24,26,28,30-31,33H,15H2,(H,29,32)/t21-,22-,23-,24-,26?/m1/s1 MPZFVCYRXPGUGA-CHCHAMRTSA-N 50169033 CHEMBL3806069 Hexokinase-2 130 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169033&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127051362 341104700 CHEMBL3806069 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495758 OC1O[C@H](CNS(=O)(=O)c2cccc(c2)C(O)=O)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C26H26N2O9S/c29-22-20(14-27-38(35,36)19-11-5-10-18(13-19)25(32)33)37-26(34)21(23(22)30)28-24(31)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,20-23,26-27,29-30,34H,14H2,(H,28,31)(H,32,33)/t20-,21-,22-,23-,26?/m1/s1 ALWSLTBGKQGBSS-GOYMMELRSA-N 50169034 CHEMBL3805734 Hexokinase-2 50 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169034&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 57411452 341104701 CHEMBL3805734 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495759 COC(=O)c1cc(oc1C)S(=O)(=O)NC[C@H]1OC(O)[C@H](NC(=O)c2cccc(Br)c2)[C@@H](O)[C@@H]1O InChI=1S/C20H23BrN2O10S/c1-9-12(19(27)31-2)7-14(32-9)34(29,30)22-8-13-16(24)17(25)15(20(28)33-13)23-18(26)10-4-3-5-11(21)6-10/h3-7,13,15-17,20,22,24-25,28H,8H2,1-2H3,(H,23,26)/t13-,15-,16-,17-,20?/m1/s1 GGUKCWIKTZNCOC-YFAUVBGMSA-N 50169036 CHEMBL3806028 Hexokinase-2 630 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169036&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127049887 341104702 CHEMBL3806028 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495760 Cc1oc(cc1C(O)=O)S(=O)(=O)NC[C@H]1OC(O)[C@H](NC(=O)c2cccc(Br)c2)[C@@H](O)[C@@H]1O InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19?/m1/s1 GEVMYBPXLUPCSS-VGFLMNAYSA-N 50169037 CHEMBL3805205 Hexokinase-2 10.0 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169037&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 57411679 341104703 CHEMBL3805205 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495761 COc1cc(cc(c1)-c1ccc(cc1)C#N)C(=O)N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O InChI=1S/C27H25Cl2N3O8S/c1-39-18-10-16(15-7-5-14(12-30)6-8-15)9-17(11-18)26(35)32-23-25(34)24(33)20(40-27(23)36)13-31-41(37,38)21-4-2-3-19(28)22(21)29/h2-11,20,23-25,27,31,33-34,36H,13H2,1H3,(H,32,35)/t20-,23-,24-,25-,27?/m1/s1 HBGMCCARHCLDCH-AREUJWMLSA-N 50169038 CHEMBL3804841 Hexokinase-2 25 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169038&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 67974104 341104704 CHEMBL3804841 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495762 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(Cl)s1 InChI=1S/C17H17Cl3N2O7S2/c18-7-2-1-3-10(12(7)20)31(27,28)21-6-8-14(23)15(24)13(17(26)29-8)22-16(25)9-4-5-11(19)30-9/h1-5,8,13-15,17,21,23-24,26H,6H2,(H,22,25)/t8-,13-,14-,15-,17?/m1/s1 CVQFRAYLNRYJHG-HBVMVRLTSA-N 50169039 CHEMBL3806132 Hexokinase-2 40 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169039&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127049888 341104705 CHEMBL3806132 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495763 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)[N+]([O-])=O InChI=1S/C18H19Cl2N3O10S2/c19-11-5-2-6-13(14(11)20)35(31,32)21-8-12-16(24)17(25)15(18(26)33-12)22-34(29,30)10-4-1-3-9(7-10)23(27)28/h1-7,12,15-18,21-22,24-26H,8H2/t12-,15-,16-,17-,18?/m1/s1 OLXVEYIVRFXMOJ-BCSBAJJNSA-N 50169040 CHEMBL3804874 Hexokinase-2 130 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169040&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127049889 341104706 CHEMBL3804874 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495764 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C24H24Cl2N2O8S2/c25-17-10-5-11-19(20(17)26)38(34,35)27-13-18-22(29)23(30)21(24(31)36-18)28-37(32,33)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-24,27-31H,13H2/t18-,21-,22-,23-,24?/m1/s1 UPUUSXGZDJAZHZ-ZAYLURJQSA-N 50169041 CHEMBL3805653 Hexokinase-2 25 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169041&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127050185 341104707 CHEMBL3805653 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495765 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1 InChI=1S/C24H23Cl3N2O8S2/c25-15-9-7-13(8-10-15)14-3-1-4-16(11-14)38(33,34)29-21-23(31)22(30)18(37-24(21)32)12-28-39(35,36)19-6-2-5-17(26)20(19)27/h1-11,18,21-24,28-32H,12H2/t18-,21-,22-,23-,24?/m1/s1 CMHAMQNLCYBPRB-ZAYLURJQSA-N 50169042 CHEMBL3806103 Hexokinase-2 7.9 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169042&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127050186 341104708 CHEMBL3806103 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495766 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C18H18Cl4N2O8S2/c19-9-5-4-8(6-11(9)21)33(28,29)24-15-17(26)16(25)12(32-18(15)27)7-23-34(30,31)13-3-1-2-10(20)14(13)22/h1-6,12,15-18,23-27H,7H2/t12-,15-,16-,17-,18?/m1/s1 CEOOHSGXBNPEFD-BCSBAJJNSA-N 50169043 CHEMBL3806095 Hexokinase-2 50 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169043&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127050187 341104709 CHEMBL3806095 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495767 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 InChI=1S/C16H17Cl3N2O8S3/c17-7-2-1-3-9(12(7)19)31(25,26)20-6-8-14(22)15(23)13(16(24)29-8)21-32(27,28)11-5-4-10(18)30-11/h1-5,8,13-16,20-24H,6H2/t8-,13-,14-,15-,16?/m1/s1 JSGQKFVOQQZRFN-DPLLHVDMSA-N 50169046 CHEMBL3805459 Hexokinase-2 130 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169046&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127050188 104053910 CHEMBL3805459 ZINC13646044 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495768 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C25H24Cl2N2O7S/c26-17-10-5-11-19(20(17)27)37(34,35)28-13-18-22(30)23(31)21(25(33)36-18)29-24(32)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-23,25,28,30-31,33H,13H2,(H,29,32)/t18-,21-,22-,23-,25?/m1/s1 IXEYHLHOLROZNK-BVGQCQFASA-N 50169031 CHEMBL3805905 Hexokinase-2 200 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169031&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127052916 341104698 CHEMBL3805905 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495769 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)-c1ccccc1 InChI=1S/C24H24Cl2N2O8S2/c25-17-10-5-11-19(20(17)26)38(34,35)27-13-18-22(29)23(30)21(24(31)36-18)28-37(32,33)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-24,27-31H,13H2/t18-,21-,22-,23-,24?/m1/s1 UPUUSXGZDJAZHZ-ZAYLURJQSA-N 50169041 CHEMBL3805653 Hexokinase-2 470 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169041&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127050185 341104707 CHEMBL3805653 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495770 OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 InChI=1S/C16H17Cl3N2O8S3/c17-7-2-1-3-9(12(7)19)31(25,26)20-6-8-14(22)15(23)13(16(24)29-8)21-32(27,28)11-5-4-10(18)30-11/h1-5,8,13-16,20-24H,6H2/t8-,13-,14-,15-,16?/m1/s1 JSGQKFVOQQZRFN-DPLLHVDMSA-N 50169046 CHEMBL3805459 Hexokinase-2 520 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169046&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 127050188 104053910 CHEMBL3805459 ZINC13646044 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 50495771 OC[C@H]1OC(O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O InChI=1S/C15H17Cl2NO6/c16-8-3-1-7(5-9(8)17)2-4-11(20)18-12-14(22)13(21)10(6-19)24-15(12)23/h1-5,10,12-15,19,21-23H,6H2,(H,18,20)/b4-2+/t10-,12-,13-,14-,15?/m1/s1 ZBHWRKZTEDNOAJ-XDGHFRMESA-N 50169013 CHEMBL3805703 Hexokinase-2 2900 ChEMBL 10.1021/acsmedchemlett.5b00214 10.7270/Q2PR7XWW 26985301 Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50169013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50169013&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 67974531 341104686 CHEMBL3805703 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51233142 CC1(C)OC2=C(C(=O)C=C(C2=N1)c1ccccc1)c1ccccc1 InChI=1S/C21H17NO2/c1-21(2)22-19-16(14-9-5-3-6-10-14)13-17(23)18(20(19)24-21)15-11-7-4-8-12-15/h3-13H,1-2H3 QUVACELBKBUEBZ-UHFFFAOYSA-N 50505248 CHEMBL4557294 Hexokinase-2 34600 ChEMBL 10.1021/acs.jnatprod.8b00821 10.7270/Q20G3PD7 31013087 Song, YJ; Zheng, HB; Peng, AH; Ma, JH; Lu, DD; Li, X; Zhang, HY; Xie, WD Shandong University at Weihai http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505248&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 145720921 440713833 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51233143 COc1cc(-c2ccccc2)c(=O)c(C(C)=O)c(O)c1-c1ccccc1 InChI=1S/C22H18O4/c1-14(23)19-21(24)17(15-9-5-3-6-10-15)13-18(26-2)20(22(19)25)16-11-7-4-8-12-16/h3-13,25H,1-2H3 GBVIUMPPCVTUAB-UHFFFAOYSA-N 50505249 CHEMBL4435293 Hexokinase-2 31200 ChEMBL 10.1021/acs.jnatprod.8b00821 10.7270/Q20G3PD7 31013087 Song, YJ; Zheng, HB; Peng, AH; Ma, JH; Lu, DD; Li, X; Zhang, HY; Xie, WD Shandong University at Weihai http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505249&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 145720922 440713834 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51233144 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18) BNQDCRGUHNALGH-UHFFFAOYSA-N 49122 2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propionohydrazide;hydrochloride::2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide;hydrochloride::2-azanyl-3-oxidanyl-N'-[[2,3,4-tris(oxidanyl)phenyl]methyl]propanehydrazide;hydrochloride::BENSERAZIDE HYDROCHLORIDE::Benserazide::MLS000028424::SMR000058421::cid_26964 Hexokinase-2 5520 ChEMBL 10.1021/acs.jnatprod.8b00821 10.7270/Q20G3PD7 31013087 Song, YJ; Zheng, HB; Peng, AH; Ma, JH; Lu, DD; Li, X; Zhang, HY; Xie, WD Shandong University at Weihai http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=49122&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 2327 252629406 31262 ZINC03830274 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51233145 COC1=C(C(=O)[C@@](O)(CC(C)=O)C(=C1)c1ccccc1)c1ccccc1 InChI=1S/C22H20O4/c1-15(23)14-22(25)18(16-9-5-3-6-10-16)13-19(26-2)20(21(22)24)17-11-7-4-8-12-17/h3-13,25H,14H2,1-2H3/t22-/m1/s1 HLMIOVVAXKAAMF-JOCHJYFZSA-N 50505250 CHEMBL4447523 Hexokinase-2 9800 ChEMBL 10.1021/acs.jnatprod.8b00821 10.7270/Q20G3PD7 31013087 Song, YJ; Zheng, HB; Peng, AH; Ma, JH; Lu, DD; Li, X; Zhang, HY; Xie, WD Shandong University at Weihai http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505250&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 139053061 440713835 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253169 CC(C)C[C@@H](N)C(=O)OC[C@]1(C)NC(=O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C26H38N2O5/c1-16(2)14-20(27)24(31)33-15-26(5)21-9-6-17(3)19(8-7-18-11-13-32-23(18)30)25(21,4)12-10-22(29)28-26/h7-8,11,16,19-21H,3,6,9-10,12-15,27H2,1-2,4-5H3,(H,28,29)/b8-7+/t19-,20-,21+,25+,26+/m1/s1 PKIQAFCMXAIXJT-HZFOGSFHSA-N 50512386 CHEMBL4531651 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512386&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155546305 440720968 C03317 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253170 CC(C)C[C@@H](N)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(=C)[C@H]2\C=C\C2=CCOC2=O)[C@]1(C)NC=O InChI=1S/C26H38N2O5/c1-16(2)14-20(27)24(31)33-22-10-12-25(4)19(8-7-18-11-13-32-23(18)30)17(3)6-9-21(25)26(22,5)28-15-29/h7-8,11,15-16,19-22H,3,6,9-10,12-14,27H2,1-2,4-5H3,(H,28,29)/b8-7+/t19-,20-,21+,22-,25+,26+/m1/s1 RMDFBFHEQMLTOG-JRRPKFOBSA-N 50512387 CHEMBL4437763 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512387&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155512761 440720969 C03317 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253171 C[C@@]12CCC(=O)N[C@@](C)(CO)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C20H27NO4/c1-13-4-7-16-19(2,10-8-17(23)21-20(16,3)12-22)15(13)6-5-14-9-11-25-18(14)24/h5-6,9,15-16,22H,1,4,7-8,10-12H2,2-3H3,(H,21,23)/b6-5+/t15-,16+,19+,20+/m1/s1 KMWVVYHGNIPQHR-WHCBKWPTSA-N 50512388 CHEMBL4476790 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512388&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155538663 440720970 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253172 C[C@@]12CCC(=O)N[C@@](C)(COC(=O)c3cccnc3)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C26H30N2O5/c1-17-6-9-21-25(2,20(17)8-7-18-11-14-32-23(18)30)12-10-22(29)28-26(21,3)16-33-24(31)19-5-4-13-27-15-19/h4-5,7-8,11,13,15,20-21H,1,6,9-10,12,14,16H2,2-3H3,(H,28,29)/b8-7+/t20-,21+,25+,26+/m1/s1 YHNMVGRIQQOWBY-IHOZZYEOSA-N 50512389 CHEMBL4441499 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512389&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155514972 440720971 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253173 C[C@@]12CCC(=O)N[C@@](C)(COC(=O)c3ccccc3[N+]([O-])=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C27H30N2O7/c1-17-8-11-22-26(2,20(17)10-9-18-13-15-35-24(18)31)14-12-23(30)28-27(22,3)16-36-25(32)19-6-4-5-7-21(19)29(33)34/h4-7,9-10,13,20,22H,1,8,11-12,14-16H2,2-3H3,(H,28,30)/b10-9+/t20-,22+,26+,27+/m1/s1 PSRZOVZJXWISDO-ATGHPYMTSA-N 50512390 CHEMBL4559740 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512390&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155558113 440720972 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253174 C[C@@]12CCC(=O)N[C@@](C)(COC(=O)c3ccc(cc3)[N+]([O-])=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C27H30N2O7/c1-17-4-11-22-26(2,21(17)10-7-19-13-15-35-24(19)31)14-12-23(30)28-27(22,3)16-36-25(32)18-5-8-20(9-6-18)29(33)34/h5-10,13,21-22H,1,4,11-12,14-16H2,2-3H3,(H,28,30)/b10-7+/t21-,22+,26+,27+/m1/s1 UDXIVCQNRDFLSN-VBGXBAIDSA-N 50512391 CHEMBL4440088 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512391&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155514298 440720973 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253175 C[C@@]12CCC(=O)N[C@@](C)(COC(=O)[C@H](N)Cc3ccccc3)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C29H36N2O5/c1-19-9-12-24-28(2,22(19)11-10-21-14-16-35-26(21)33)15-13-25(32)31-29(24,3)18-36-27(34)23(30)17-20-7-5-4-6-8-20/h4-8,10-11,14,22-24H,1,9,12-13,15-18,30H2,2-3H3,(H,31,32)/b11-10+/t22-,23-,24+,28+,29+/m1/s1 QCCWAGAJSDSGSH-XGKKZYCRSA-N 50512392 CHEMBL4474580 Hexokinase-2 4800 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512392&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155537131 440720974 C03317 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253176 C[C@@]12CC[C@@H](O)[C@@](C)(NC=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C20H27NO4/c1-13-4-7-16-19(2,10-8-17(23)20(16,3)21-12-22)15(13)6-5-14-9-11-25-18(14)24/h5-6,9,12,15-17,23H,1,4,7-8,10-11H2,2-3H3,(H,21,22)/b6-5+/t15-,16+,17-,19+,20+/m1/s1 VWEPTAOEXREBNO-CRBRZBHVSA-N 50512393 CHEMBL4435724 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512393&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155511240 440720975 C06049 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253177 C[C@@]12CC[C@@H](OC(=O)c3cccnc3)[C@@](C)(NC=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C26H30N2O5/c1-17-6-9-21-25(2,20(17)8-7-18-11-14-32-23(18)30)12-10-22(26(21,3)28-16-29)33-24(31)19-5-4-13-27-15-19/h4-5,7-8,11,13,15-16,20-22H,1,6,9-10,12,14H2,2-3H3,(H,28,29)/b8-7+/t20-,21+,22-,25+,26+/m1/s1 BFVKKFFBVHUAJT-AAQQYLJGSA-N 50512394 CHEMBL4458194 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512394&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155527164 440720976 C06049 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253178 C[C@@]12CC[C@@H](OC(=O)c3ccccc3)[C@@](C)(NC=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C27H31NO5/c1-18-9-12-22-26(2,21(18)11-10-20-14-16-32-24(20)30)15-13-23(27(22,3)28-17-29)33-25(31)19-7-5-4-6-8-19/h4-8,10-11,14,17,21-23H,1,9,12-13,15-16H2,2-3H3,(H,28,29)/b11-10+/t21-,22+,23-,26+,27+/m1/s1 CINCLPQLCZNZEX-MSVBMEBJSA-N 50512395 CHEMBL4452036 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512395&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155522384 440720977 C06049 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253179 C[C@@]12CC[C@@H](OC(=O)c3ccc(cc3)[N+]([O-])=O)[C@@](C)(NC=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C27H30N2O7/c1-17-4-11-22-26(2,21(17)10-7-19-13-15-35-24(19)31)14-12-23(27(22,3)28-16-30)36-25(32)18-5-8-20(9-6-18)29(33)34/h5-10,13,16,21-23H,1,4,11-12,14-15H2,2-3H3,(H,28,30)/b10-7+/t21-,22+,23-,26+,27+/m1/s1 FIOZAQKYNDVGNA-GTSVIRJVSA-N 50512396 CHEMBL4473377 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512396&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155536434 440720978 C06049 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253180 C[C@@]12CC[C@@H](OC(=O)[C@@H](N)Cc3ccccc3)[C@@](C)(NC=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C29H36N2O5/c1-19-9-12-24-28(2,22(19)11-10-21-14-16-35-26(21)33)15-13-25(29(24,3)31-18-32)36-27(34)23(30)17-20-7-5-4-6-8-20/h4-8,10-11,14,18,22-25H,1,9,12-13,15-17,30H2,2-3H3,(H,31,32)/b11-10+/t22-,23+,24+,25-,28+,29+/m1/s1 ASAMPPUTIZOMGM-PYESZRQUSA-N 50512397 CHEMBL4573718 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512397&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155563330 440720979 C03317 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253181 C[C@@]12CC[C@@H](OC(=O)CCCC[C@@H]3CCSS3)[C@@](C)(NC=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C28H39NO5S2/c1-19-8-11-23-27(2,22(19)10-9-20-13-16-33-26(20)32)15-12-24(28(23,3)29-18-30)34-25(31)7-5-4-6-21-14-17-35-36-21/h9-10,13,18,21-24H,1,4-8,11-12,14-17H2,2-3H3,(H,29,30)/b10-9+/t21-,22-,23+,24-,27+,28+/m1/s1 OKSJIOXAFDOEPP-AYMALCGGSA-N 50512398 CHEMBL4457024 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512398&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155526242 440720980 C06049 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253182 C[C@@]12CC[C@@H](OC(=O)CN)[C@@](C)(NC=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C22H30N2O5/c1-14-4-7-17-21(2,16(14)6-5-15-9-11-28-20(15)27)10-8-18(29-19(26)12-23)22(17,3)24-13-25/h5-6,9,13,16-18H,1,4,7-8,10-12,23H2,2-3H3,(H,24,25)/b6-5+/t16-,17+,18-,21+,22+/m1/s1 HOBGPDMGZWCWAJ-JNVLNVLSSA-N 50512399 CHEMBL4440743 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512399&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155514673 440720981 C06049 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253183 CNCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(=C)[C@H]2\C=C\C2=CCOC2=O)[C@]1(C)NC=O InChI=1S/C23H32N2O5/c1-15-5-8-18-22(2,17(15)7-6-16-10-12-29-21(16)28)11-9-19(23(18,3)25-14-26)30-20(27)13-24-4/h6-7,10,14,17-19,24H,1,5,8-9,11-13H2,2-4H3,(H,25,26)/b7-6+/t17-,18+,19-,22+,23+/m1/s1 CHUAIPTZSUPURX-WAMWYBIVSA-N 50512400 CHEMBL4448145 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512400&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155519990 440720982 C06049 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253184 C[C@@]12CCC(=O)N[C@@](C)(COC(=O)c3ccccc3)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C27H31NO5/c1-18-9-12-22-26(2,21(18)11-10-20-14-16-32-24(20)30)15-13-23(29)28-27(22,3)17-33-25(31)19-7-5-4-6-8-19/h4-8,10-11,14,21-22H,1,9,12-13,15-17H2,2-3H3,(H,28,29)/b11-10+/t21-,22+,26+,27+/m1/s1 LCKJDMDNIAQVMC-IYFJMWNJSA-N 50512401 CHEMBL4592431 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512401&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155569173 440720983 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253185 C[C@@]12CCC(=O)N[C@@](C)(COC(=O)[C@@H]3CCCN3)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C25H34N2O5/c1-16-6-9-20-24(2,18(16)8-7-17-11-14-31-22(17)29)12-10-21(28)27-25(20,3)15-32-23(30)19-5-4-13-26-19/h7-8,11,18-20,26H,1,4-6,9-10,12-15H2,2-3H3,(H,27,28)/b8-7+/t18-,19+,20+,24+,25+/m1/s1 OLOTZDSWDWVPQN-ITAJTMSTSA-N 50512402 CHEMBL4580347 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512402&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155565340 440720984 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253186 C[C@@]12CC[C@@H](OC(=O)c3ccccc3[N+]([O-])=O)[C@@](C)(NC=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C27H30N2O7/c1-17-8-11-22-26(2,20(17)10-9-18-13-15-35-24(18)31)14-12-23(27(22,3)28-16-30)36-25(32)19-6-4-5-7-21(19)29(33)34/h4-7,9-10,13,16,20,22-23H,1,8,11-12,14-15H2,2-3H3,(H,28,30)/b10-9+/t20-,22+,23-,26+,27+/m1/s1 NBHRDRUSDRHLQR-QSGCCCQJSA-N 50512403 CHEMBL4565147 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512403&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155560152 440720985 C06049 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253187 C[C@@]12CC[C@@H](OC(=O)[C@H]3CCCN3)[C@@](C)(NC=O)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C25H34N2O5/c1-16-6-9-20-24(2,18(16)8-7-17-11-14-31-22(17)29)12-10-21(25(20,3)27-15-28)32-23(30)19-5-4-13-26-19/h7-8,11,15,18-21,26H,1,4-6,9-10,12-14H2,2-3H3,(H,27,28)/b8-7+/t18-,19-,20+,21-,24+,25+/m1/s1 JRSRPSSJVUWOGW-MBZRBCCNSA-N 50512404 CHEMBL4439269 Hexokinase-2 26080 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512404&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155513950 440720986 C06049 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253188 C[C@@]12CCC(=O)N[C@@](C)(COC(=O)CCCC[C@@H]3CCSS3)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C28H39NO5S2/c1-19-8-11-23-27(2,22(19)10-9-20-13-16-33-26(20)32)15-12-24(30)29-28(23,3)18-34-25(31)7-5-4-6-21-14-17-35-36-21/h9-10,13,21-23H,1,4-8,11-12,14-18H2,2-3H3,(H,29,30)/b10-9+/t21-,22-,23+,27+,28+/m1/s1 KSKACYQALUPWSV-QDHZSKGMSA-N 50512405 CHEMBL4466819 Hexokinase-2 5120 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512405&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155531906 440720987 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253189 C[C@@]12CCC(=O)N[C@@](C)(COC(=O)CCCC[C@@H]3CCSS3)[C@H]1CCC(=C)[C@H]2\C=C\C1=CCOC1=O InChI=1S/C28H39NO5S2/c1-19-8-11-23-27(2,22(19)10-9-20-13-16-33-26(20)32)15-12-24(30)29-28(23,3)18-34-25(31)7-5-4-6-21-14-17-35-36-21/h9-10,13,21-23H,1,4-8,11-12,14-18H2,2-3H3,(H,29,30)/b10-9+/t21-,22-,23+,27+,28+/m1/s1 KSKACYQALUPWSV-QDHZSKGMSA-N 50512405 CHEMBL4466819 Hexokinase-2 9360 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512405&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 155531906 440720987 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82 51253190 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12 InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1 BOJKULTULYSRAS-OTESTREVSA-N 50084419 Andrographolide::CHEBI:65408 Hexokinase-2 >50000 ChEMBL 10.1016/j.ejmech.2019.04.022 10.7270/Q2Z322ZG 31009914 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Shenyang Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006924&target=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084419&enzyme=Hexokinase-2&column=ki&startPg=0&Increment=50&submit=Search 5318517 103983968 ZINC13557239 1 MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR 2NZT,5HEX,5HFU,5HG1 Hexokinase-2 HXK2_HUMAN P52789 D6W5J2 Q8WU87 Q9UN82