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BioLiP

PDB CCD ID: UDY
Number of entries in BioLiP: 1
Chemical formula: C15 H9 F N4 S2
InChI: InChI=1S/C15H9FN4S2/c16-9-4-5-11-13(7-9)22-15(18-11)20-14-19-12(8-21-14)10-3-1-2-6-17-10/h1-8H,(H,18,19,20)
InChIKey: CKLUPEBKNDQOFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F
CACTVS 3.385Fc1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1
Name:6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
ChEMBL: CHEMBL587611
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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