BDBM50648327 CHEMBL5612076

SMILES CC[C@@H]1[C@@]2([C@@H]([C@H](/C(=N/OCC#Cc3cc(cnc3)C(=O)NC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCNCCCCNc4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)C)O[C@H]7[C@@H]([C@H](C[C@H](O7)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

InChI Key InChIKey=QSECVVVQBOHDAY-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50648327   

TargetDNA gyrase A/A/B/B tetramer(Escherichia coli (strain K12))
Beijing Institute of Technology

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50648327BDBM50648327(CHEMBL5612076)
Affinity DataIC50: 1.19E+4nMAssay Description:Inhibition of Escherichia coli DNA gyrase using pBR322 DNA as substrate incubated for 30 mins by electrophoresisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed