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BioLiP

PDB CCD ID: 54T
Number of entries in BioLiP: 2
Chemical formula: C7 H5 Cl N2 S
InChI: InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey: VMNXKIDUTPOHPO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc2c(cc1Cl)sc(n2)N
CACTVS 3.385Nc1sc2cc(Cl)ccc2n1
ACDLabs 12.01n2c1c(cc(cc1)Cl)sc2N
Name:6-chloro-1,3-benzothiazol-2-amine
ChEMBL: CHEMBL97643
ZINC: ZINC000016989831
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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