BioLiP

PDB

BioLiP

PDB CCD ID:

LTK

Number of entries in BioLiP:

Chemical formula:

C16 H15 Cl N2 O2 S2

InChI:

InChI=1S/C16H15ClN2O2S2/c1-10-14-8-12(17)5-6-15(14)22-16(10)23(20,21)19-13-4-2-3-11(7-13)9-18/h2-8,19H,9,18H2,1H3

InChIKey:

OMVVAHZLDYMIPY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl
CACTVS 3.385	Cc1c2cc(Cl)ccc2sc1[S](=O)(=O)Nc3cccc(CN)c3

Name:

~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide

ChEMBL:

CHEMBL4435863

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).