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BioLiP

PDB CCD ID: 2D0
Number of entries in BioLiP: 2
Chemical formula: C7 H5 Cl N2 S
InChI: InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChIKey: OEQQFQXMCPMEIH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(c(c1)Cl)nc(s2)N
CACTVS 3.385Nc1sc2cccc(Cl)c2n1
ACDLabs 12.01Clc2cccc1sc(nc12)N
Name:4-chloro-1,3-benzothiazol-2-amine
ChEMBL: CHEMBL1413383
ZINC: ZINC000008615114
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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