BioLiP

PDB

BioLiP

PDB CCD ID:

FY8

Number of entries in BioLiP:

Chemical formula:

C12 H15 Cl N2 O2

InChI:

InChI=1S/C12H15ClN2O2/c13-9-1-2-11(16)10(7-9)15-12(17)8-3-5-14-6-4-8/h1-2,7-8,14,16H,3-6H2,(H,15,17)

InChIKey:

GIWLSSKLZAAODK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O
CACTVS 3.385	Oc1ccc(Cl)cc1NC(=O)C2CCNCC2

Name:

N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide

ZINC:

ZINC000032625197

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).