BioLiP

PDB

BioLiP

PDB CCD ID:

T1B

Number of entries in BioLiP:

Chemical formula:

C12 H13 N5

InChI:

InChI=1S/C12H13N5/c1-3-8-4-5-9-10(6-8)15-12(14-9)11-7-13-16-17(11)2/h4-7H,3H2,1-2H3,(H,14,15)

InChIKey:

ODOFHRIEFOAOCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1ccc2[nH]c(nc2c1)c3cnnn3C
OpenEye OEToolkits 2.0.7	CCc1ccc2c(c1)nc([nH]2)c3cnnn3C

Name:

5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole

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).