BioLiP

PDB

BioLiP

PDB CCD ID:

FKX

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O3

InChI:

InChI=1S/C12H14N2O3/c1-7(2)6-14-10-5-8(11(15)16)3-4-9(10)13-12(14)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H,15,16)

InChIKey:

LBPMNHWGWCEKQH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)CN1C(=O)Nc2ccc(cc12)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)CN1c2cc(ccc2NC1=O)C(=O)O
ACDLabs 12.01	O=C(O)c1ccc2NC(=O)N(CC(C)C)c2c1

Name:

3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-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).