BioLiP

PDB

BioLiP

PDB CCD ID:

5G4

Number of entries in BioLiP:

Chemical formula:

C20 H17 N O3

InChI:

InChI=1S/C20H17NO3/c1-13-4-2-3-5-18(13)21-20(14-6-8-15(22)9-7-14)17-11-10-16(23)12-19(17)24/h2-12,22-24H,1H3/b21-20+

InChIKey:

VXKQHCLQGKBGDO-QZQOTICOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3O)O
CACTVS 3.385	Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3O
OpenEye OEToolkits 1.9.2	Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O
ACDLabs 12.01	Oc3ccc(/C(c1c(cc(cc1)O)O)=N\c2c(C)cccc2)cc3

Name:

4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol

ChEMBL:

CHEMBL3234627

ZINC:

ZINC000169310733

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).