BioLiP

PDB

BioLiP

PDB CCD ID:

C00

Number of entries in BioLiP:

Chemical formula:

C21 H15 N O3

InChI:

InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3

InChIKey:

ROMNEYAQUBNRLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C2c1cccc(c1C(=O)N2c4cc(c3ccccc3)ccc4O)C
CACTVS 3.341	Cc1cccc2C(=O)N(C(=O)c12)c3cc(ccc3O)c4ccccc4
OpenEye OEToolkits 1.5.0	Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4

Name:

2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione

ChEMBL:

CHEMBL1231545

DrugBank:

DB07507

ZINC:

ZINC000039047310

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).