BioLiP

PDB

BioLiP

PDB CCD ID:

IHV

Number of entries in BioLiP:

Chemical formula:

C19 H24 N4

InChI:

InChI=1S/C19H24N4/c1-13-14(2)21-17(15(3)20-13)10-11-19-22-18(12-23(19)4)16-8-6-5-7-9-16/h5-9,18H,10-12H2,1-4H3/t18-/m1/s1

InChIKey:

PQAWQFZNQPHNCC-GOSISDBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(nc(c(n1)C)CCC2=NC(CN2C)c3ccccc3)C
ACDLabs 12.01	CN1CC(N=C1CCc1nc(C)c(C)nc1C)c1ccccc1
CACTVS 3.385	CN1C[C@@H](N=C1CCc2nc(C)c(C)nc2C)c3ccccc3
CACTVS 3.385	CN1C[CH](N=C1CCc2nc(C)c(C)nc2C)c3ccccc3

Name:

2,3,5-trimethyl-6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyrazine

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).