BioLiP

PDB

BioLiP

PDB CCD ID:

H69

Number of entries in BioLiP:

Chemical formula:

C16 H15 Cl2 N3 O3

InChI:

InChI=1S/C16H15Cl2N3O3/c17-11-2-1-10(7-12(11)18)9-3-5-21(6-4-9)15(23)13-8-14(22)20-16(24)19-13/h1-2,7-9H,3-6H2,(H2,19,20,22,24)

InChIKey:

BOEMYMIXDCTGER-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl
CACTVS 3.385	Clc1ccc(cc1Cl)C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
ACDLabs 12.01	O=C(C1=CC(=O)NC(=O)N1)N1CCC(CC1)c1ccc(Cl)c(Cl)c1

Name:

6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione

ChEMBL:

CHEMBL5078993

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).