BioLiP

PDB

BioLiP

PDB CCD ID:

IV2

Number of entries in BioLiP:

Chemical formula:

C8 H7 Cl N2 S

InChI:

InChI=1S/C8H7ClN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)

InChIKey:

ORCGZHQFPODCCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1c(c2nc(sc2cc1)N)C
OpenEye OEToolkits 1.7.6	Cc1c(ccc2c1nc(s2)N)Cl
CACTVS 3.385	Cc1c(Cl)ccc2sc(N)nc12

Name:

5-chloranyl-4-methyl-1,3-benzothiazol-2-amine

ZINC:

ZINC000000938940

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).