BioLiP

PDB

BioLiP

PDB CCD ID:

JPB

Number of entries in BioLiP:

Chemical formula:

C11 H7 Cl3 N2 O3

InChI:

InChI=1S/C11H7Cl3N2O3/c12-4-1-5(13)9(6(14)2-4)11(19)15-7-3-8(17)16-10(7)18/h1-2,7H,3H2,(H,15,19)(H,16,17,18)/t7-/m0/s1

InChIKey:

LBWIBZYKUVIBKH-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cc(Cl)c(C(=O)N[CH]2CC(=O)NC2=O)c(Cl)c1
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl
CACTVS 3.385	Clc1cc(Cl)c(C(=O)N[C@H]2CC(=O)NC2=O)c(Cl)c1
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1Cl)C(=O)NC2CC(=O)NC2=O)Cl)Cl

Name:

~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide

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).