BioLiP

PDB

BioLiP

PDB CCD ID:

O6L

Number of entries in BioLiP:

Chemical formula:

C20 H26 Cl2 N2 O3

InChI:

InChI=1S/C20H26Cl2N2O3/c21-13-18(25)23-14-15-7-11-24(12-8-15)19(26)20(9-1-2-10-20)27-17-5-3-16(22)4-6-17/h3-6,15H,1-2,7-14H2,(H,23,25)

InChIKey:

ZLBLVMWFLKBHSC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1OC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl
CACTVS 3.385	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccc(Cl)cc3

Name:

2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]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).