SEQ2FUN

BioLiP

PDB CCD ID: A1CGW
Number of entries in BioLiP: 24
Chemical formula: C11 H7 Cl2 N3 S2
InChI: InChI=1S/C11H7Cl2N3S2/c12-7-1-6-3-16-18-9(6)2-8(7)14-5-11-15-4-10(13)17-11/h1-4,14H,5H2
InChIKey: GFNMKESSHVFPQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Clc1cnc(s1)CNc1cc2sncc2cc1Cl
OpenEye OEToolkits 3.1.0.0c1c2cnsc2cc(c1Cl)NCc3ncc(s3)Cl
CACTVS 3.385Clc1sc(CNc2cc3sncc3cc2Cl)nc1
Name:5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
ChEMBL: CHEMBL4863993
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).