BioLiP

PDB

BioLiP

PDB CCD ID:

951

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(c(c1)c2ccc(o2)C=NNc3ccccc3C(=O)O)Cl
CACTVS 3.352	OC(=O)c1ccccc1N/N=C/c2oc(cc2)c3ccccc3Cl
CACTVS 3.352	OC(=O)c1ccccc1NN=Cc2oc(cc2)c3ccccc3Cl
OpenEye OEToolkits 1.7.0	c1ccc(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, Lydia 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).