BioLiP

PDB

BioLiP

PDB CCD ID:

XIC

Number of entries in BioLiP:

Chemical formula:

C18 H18 Cl2 N2 O3 S

InChI:

InChI=1S/C18H18Cl2N2O3S/c19-15-12-16(20)17(26(24,25)22-9-5-2-6-10-22)11-14(15)18(23)21-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23)

InChIKey:

KENJNQGKULJCIX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NC(=O)c2cc(c(cc2Cl)Cl)S(=O)(=O)N3CCCCC3
CACTVS 3.385	Clc1cc(Cl)c(cc1C(=O)Nc2ccccc2)[S](=O)(=O)N3CCCCC3
ACDLabs 12.01	O=S(=O)(c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl)N1CCCCC1

Name:

2,4-dichloro-N-phenyl-5-(piperidine-1-sulfonyl)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).