BioLiP

PDB

BioLiP

PDB CCD ID:

RV3

Number of entries in BioLiP:

Chemical formula:

C18 H14 N4 O3

InChI:

InChI=1S/C18H14N4O3/c23-17(10-5-6-14-15(7-10)21-9-20-14)19-8-12-11-3-1-2-4-13(11)22-16(12)18(24)25/h1-7,9,22H,8H2,(H,19,23)(H,20,21)(H,24,25)

InChIKey:

ZBKHDPZXZUDEDP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc4c(c3)nc[nH]4
CACTVS 3.385	OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc4[nH]cnc4c3
ACDLabs 12.01	O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1ccc2[NH]cnc2c1

Name:

3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid

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).