BioLiP

PDB

BioLiP

PDB CCD ID:

VX3

Number of entries in BioLiP:

Chemical formula:

C21 H15 N O2

InChI:

InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)

InChIKey:

OLUDUXWVPIEHDA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O
CACTVS 3.341	OC(=O)c1cccc2c1[nH]c(c3ccccc3)c2c4ccccc4
ACDLabs 10.04	O=C(O)c1cccc2c1nc(c2c3ccccc3)c4ccccc4

Name:

2,3-diphenyl-1H-indole-7-carboxylic acid

ChEMBL:

CHEMBL406652

DrugBank:

DB08709

ZINC:

ZINC000001506669

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).