BioLiP

PDB

BioLiP

PDB CCD ID:

KLZ

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N2 S2

InChI:

InChI=1S/C10H9ClN2S2/c11-7-1-5(4-14)2-8-6(7)3-9(15-8)10(12)13/h1-3,14H,4H2,(H3,12,13)

InChIKey:

YFGWNQGNVJPWHQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc(c2c1sc(c2)C(=N)N)Cl)CS
CACTVS 3.385	NC(=N)c1sc2cc(CS)cc(Cl)c2c1
OpenEye OEToolkits 2.0.7	[H]/N=C(\c1cc2c(s1)cc(cc2Cl)CS)/N

Name:

4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide

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).