BioLiP

PDB

BioLiP

PDB CCD ID:

5G7

Number of entries in BioLiP:

Chemical formula:

C20 H17 N O2

InChI:

InChI=1S/C20H17NO2/c1-14-4-2-3-5-19(14)21-20(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h2-13,22-23H,1H3

InChIKey:

NPBTTYXOISVXOO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O
CACTVS 3.385	Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3
ACDLabs 12.01	Oc1ccc(cc1)/C(c2ccc(cc2)O)=N/c3c(C)cccc3

Name:

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

ChEMBL:

CHEMBL3234614

ZINC:

ZINC000169310320

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).