BioLiP

PDB

BioLiP

PDB CCD ID:

X4C

Number of entries in BioLiP:

Chemical formula:

C23 H21 N5

InChI:

InChI=1S/C23H21N5/c1-16-9-10-20-19(15-16)26-22(28(20)18-7-4-3-5-8-18)12-11-21-25-17(2)23-24-13-6-14-27(21)23/h3-10,13-15H,11-12H2,1-2H3

InChIKey:

VOYXDWSUNQJWTO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4nc(c5n4cccn5)C
CACTVS 3.385	Cc1ccc2n(c(CCc3nc(C)c4ncccn34)nc2c1)c5ccccc5
ACDLabs 12.01	n2c1cc(ccc1n(c2CCc4nc(c3ncccn34)C)c5ccccc5)C

Name:

8-methyl-6-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine

ChEMBL:

CHEMBL3288410

ZINC:

ZINC000098209601

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).