BioLiP

PDB

BioLiP

PDB CCD ID:

O4R

Number of entries in BioLiP:

Chemical formula:

C20 H27 Cl N2 O3

InChI:

InChI=1S/C20H27ClN2O3/c21-14-18(24)22-15-16-8-12-23(13-9-16)19(25)20(10-4-5-11-20)26-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,22,24)

InChIKey:

NZWJTMJACDAPAL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccccc3
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)OC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl

Name:

2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide

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).