BioLiP

PDB

BioLiP

PDB CCD ID:

5G5

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl N O2

InChI:

InChI=1S/C19H14ClNO2/c20-17-3-1-2-4-18(17)21-19(13-5-9-15(22)10-6-13)14-7-11-16(23)12-8-14/h1-12,22-23H

InChIKey:

KCIOZMOTULBIRT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl
ACDLabs 12.01	Clc1c(cccc1)\N=C(\c2ccc(O)cc2)c3ccc(cc3)O
CACTVS 3.385	Oc1ccc(cc1)C(=Nc2ccccc2Cl)c3ccc(O)cc3

Name:

4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol

ChEMBL:

CHEMBL3234617

ZINC:

ZINC000169310326

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).