BioLiP

PDB

BioLiP

PDB CCD ID:

I6O

Number of entries in BioLiP:

Chemical formula:

C20 H27 N3

InChI:

InChI=1S/C20H27N3/c1-3-8-16(9-4-1)14-23-15-19(17-10-5-2-6-11-17)22-20(23)18-12-7-13-21-18/h2,5-6,10-11,15-16,18,21H,1,3-4,7-9,12-14H2/t18-/m0/s1

InChIKey:

YMIBXGQFWHXYCG-SFHVURJKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C1CCC(CC1)Cn2cc(nc2[CH]3CCCN3)c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cn(c(n2)C3CCCN3)CC4CCCCC4
ACDLabs 12.01	C1CC(Cn2cc(nc2C2CCCN2)c2ccccc2)CCC1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cn(c(n2)[C@@H]3CCCN3)CC4CCCCC4
CACTVS 3.385	C1CCC(CC1)Cn2cc(nc2[C@@H]3CCCN3)c4ccccc4

Name:

1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

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).