BioLiP

PDB

BioLiP

PDB CCD ID:

NX3

Number of entries in BioLiP:

Chemical formula:

C18 H14 Cl2 N2 O3 S3

InChI:

InChI=1S/C18H14Cl2N2O3S3/c19-14-5-4-11(8-15(14)20)10-27-16-6-7-26-17(16)18(23)22-28(24,25)13-3-1-2-12(21)9-13/h1-9H,10,21H2,(H,22,23)

InChIKey:

FLQMGJTZJKTWPI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N
ACDLabs 12.01	O=S(=O)(c1cc(N)ccc1)NC(=O)c3sccc3SCc2cc(Cl)c(Cl)cc2
CACTVS 3.370	Nc1cccc(c1)[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl)c3

Name:

N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide

ChEMBL:

CHEMBL1910888

ZINC:

ZINC000073129873

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).