BioLiP

PDB

BioLiP

PDB CCD ID:

R3P

Number of entries in BioLiP:

Chemical formula:

C15 H20 Cl2 N2 O

InChI:

InChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)

InChIKey:

OUZZSIOQTSNTTI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1c(c(ccc1)Cl)C(NC2CCN(CC2)C(C)C)=O
OpenEye OEToolkits 2.0.7	CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl
CACTVS 3.385	CC(C)N1CCC(CC1)NC(=O)c2c(Cl)cccc2Cl

Name:

2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide

ChEMBL:

CHEMBL4438419

ZINC:

ZINC000012382527

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).