BioLiP

PDB

BioLiP

PDB CCD ID:

6HD

Number of entries in BioLiP:

Chemical formula:

C9 H10 N4 O

InChI:

InChI=1S/C9H10N4O/c1-11-9-12-6-3-2-5(8(10)14)4-7(6)13-9/h2-4H,1H3,(H2,10,14)(H2,11,12,13)

InChIKey:

LOKXPWIZESGCLZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNc1[nH]c2ccc(cc2n1)C(N)=O
ACDLabs 12.01	O=C(N)c1ccc2c(c1)nc(n2)NC
OpenEye OEToolkits 2.0.4	CNc1[nH]c2ccc(cc2n1)C(=O)N

Name:

2-(methylamino)-1H-benzimidazole-5-carboxamide

ChEMBL:

CHEMBL4639735

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).