BioLiP

PDB

BioLiP

PDB CCD ID:

JG9

Number of entries in BioLiP:

Chemical formula:

C22 H24 N4

InChI:

InChI=1S/C22H24N4/c1-15-16(2)26-17(3)18(11-13-22(26)23-15)10-12-21-24-20(14-25(21)4)19-8-6-5-7-9-19/h5-9,11,13-14H,10,12H2,1-4H3

InChIKey:

RVLJIWHZBHOJLA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cc(nc1CCc2ccc3nc(C)c(C)n3c2C)c4ccccc4
OpenEye OEToolkits 2.0.7	Cc1c(n2c(c(ccc2n1)CCc3nc(cn3C)c4ccccc4)C)C
ACDLabs 12.01	Cn1cc(nc1CCc1ccc2nc(C)c(C)n2c1C)c1ccccc1

Name:

(4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine

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).