BioLiP

PDB

BioLiP

PDB CCD ID:

VX5

Number of entries in BioLiP:

Chemical formula:

C12 H22 N2 O

InChI:

InChI=1S/C12H22N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h10-11,13H,1-9H2,(H,14,15)/t10-/m1/s1

InChIKey:

VFIIKPDGRULRPR-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CCC(CC1)NC(=O)C2CCCNC2
OpenEye OEToolkits 2.0.7	C1CCC(CC1)NC(=O)[C@@H]2CCCNC2
CACTVS 3.385	O=C(NC1CCCCC1)[CH]2CCCNC2
CACTVS 3.385	O=C(NC1CCCCC1)[C@@H]2CCCNC2
ACDLabs 12.01	O=C(NC1CCCCC1)C1CCCNC1

Name:

(3R)-N-cyclohexylpiperidine-3-carboxamide

ZINC:

ZINC000019408979

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).