BioLiP

PDB

BioLiP

PDB CCD ID:

T8Z

Number of entries in BioLiP:

Chemical formula:

C20 H21 N7

InChI:

InChI=1S/C20H21N7/c1-26-19(12-22-25-26)20-23-16-5-4-14(11-17(16)24-20)13-27-10-2-3-18(27)15-6-8-21-9-7-15/h4-9,11-12,18H,2-3,10,13H2,1H3,(H,23,24)/t18-/m0/s1

InChIKey:

IEEIOQSIZMWGTQ-SFHVURJKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCCC4c5ccncc5
CACTVS 3.385	Cn1nncc1c2[nH]c3cc(CN4CCC[CH]4c5ccncc5)ccc3n2
CACTVS 3.385	Cn1nncc1c2[nH]c3cc(CN4CCC[C@H]4c5ccncc5)ccc3n2
OpenEye OEToolkits 2.0.7	Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCC[C@H]4c5ccncc5

Name:

2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole;
2-(3-methyl-1,2,3-triazol-4-yl)-6-[[(2~{S})-2-pyridin-4-ylpyrrolidin-1-yl]methyl]-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).