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BioLiP

PDB CCD ID: ZOV
Number of entries in BioLiP: 4
Chemical formula: C19 H15 N5 S2
InChI: InChI=1S/C19H15N5S2/c1-10-5-15(24(2)23-10)12-7-21-19(20)17-13(8-25-18(12)17)11-3-4-16-14(6-11)22-9-26-16/h3-9H,1-2H3,(H2,20,21)
InChIKey: BPKSNNJTKPIZKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1cc(n(C)n1)c1cnc(N)c2c1scc2c1cc2ncsc2cc1
OpenEye OEToolkits 2.0.7Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c4)ncs5)N
CACTVS 3.385Cn1nc(C)cc1c2cnc(N)c3c2scc3c4ccc5scnc5c4
Name:3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine;
GSK'843
ChEMBL: CHEMBL4441118
ZINC: ZINC000253476140
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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