BioLiP

PDB

BioLiP

PDB CCD ID:

U9W

Number of entries in BioLiP:

Chemical formula:

C13 H17 Cl N2 O

InChI:

InChI=1S/C13H17ClN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)

InChIKey:

WMWBLCFXKIUSDK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1CCN(CC1)C(=O)Nc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.7	CC1CCN(CC1)C(=O)Nc2ccc(cc2)Cl

Name:

~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide

ZINC:

ZINC000000392867

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).