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BioLiP

PDB CCD ID: EUK
Number of entries in BioLiP: 4
Chemical formula: C14 H10 Cl2 N2 S2
InChI: InChI=1S/C14H10Cl2N2S2/c15-10-3-1-8(5-11(10)16)7-19-9-2-4-12-13(6-9)20-14(17)18-12/h1-6H,7H2,(H2,17,18)
InChIKey: MEVVEKKHDRENAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1sc2cc(SCc3ccc(Cl)c(Cl)c3)ccc2n1
OpenEye OEToolkits 2.0.6c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl
Name:6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine
ChEMBL: CHEMBL4439011
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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