BioLiP

PDB

BioLiP

PDB CCD ID:

483

Number of entries in BioLiP:

Chemical formula:

C12 H19 N3 O

InChI:

InChI=1S/C12H19N3O/c1-10-2-4-11(5-3-10)14-12(16)8-15-7-6-13-9-15/h6-7,9-11H,2-5,8H2,1H3,(H,14,16)/t10-,11-

InChIKey:

PKHDTDLLHJFDKS-XYPYZODXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC1CCC(CC1)NC(=O)Cn2ccnc2
ACDLabs 12.01	O=C(NC1CCC(C)CC1)Cn2ccnc2
CACTVS 3.385	C[CH]1CC[CH](CC1)NC(=O)Cn2ccnc2
CACTVS 3.385	C[C@@H]1CC[C@H](CC1)NC(=O)Cn2ccnc2

Name:

2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide

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).