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BioLiP

PDB CCD ID: 951
Number of entries in BioLiP: 1
Chemical formula: C18 H13 Cl N2 O3
InChI: InChI=1S/C18H13ClN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-16-8-4-2-6-14(16)18(22)23/h1-11,21H,(H,22,23)/b20-11+
InChIKey: NMDZDMNJLCAJMA-RGVLZGJSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(c(c1)c2ccc(o2)C=NNc3ccccc3C(=O)O)Cl
CACTVS 3.352OC(=O)c1ccccc1N/N=C/c2oc(cc2)c3ccccc3Cl
CACTVS 3.352OC(=O)c1ccccc1NN=Cc2oc(cc2)c3ccccc3Cl
OpenEye OEToolkits 1.7.0c1ccc(c(c1)c2ccc(o2)/C=N/Nc3ccccc3C(=O)O)Cl
Name:2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid
ChEMBL: CHEMBL1088743
ZINC: ZINC000004902270
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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