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BioLiP

PDB CCD ID: CK5
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N4 O S
InChI: InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(20)8-11/h3-8,20H,1-2H3,(H,16,18,19)
InChIKey: JJDRRZFRTKZLFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O
ACDLabs 10.04n2c(c1sc(nc1C)C)ccnc2Nc3cccc(O)c3
CACTVS 3.341Cc1sc(c(C)n1)c2ccnc(Nc3cccc(O)c3)n2
Name:3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
ChEMBL: CHEMBL47527
DrugBank: DB04518
ZINC: ZINC000002047391
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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