BioLiP

PDB

BioLiP

PDB CCD ID:

NC0

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O3

InChI:

InChI=1S/C16H14N2O3/c19-15(20)12-6-2-3-7-13(12)17-16(21)18-10-9-11-5-1-4-8-14(11)18/h1-8H,9-10H2,(H,17,21)(H,19,20)

InChIKey:

SEVISWFLUIXPLQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccccc1NC(=O)N2CCc3ccccc23
ACDLabs 12.01	O=C(O)c1ccccc1NC(=O)N1CCc2ccccc21
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CCN2C(=O)Nc3ccccc3C(=O)O

Name:

2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic 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).