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BioLiP

PDB CCD ID: AB3
Number of entries in BioLiP: 6
Chemical formula: C15 H17 N5 O
InChI: InChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKey: CPLGZXQPPYRNRC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N
ACDLabs 10.04n1c(c2c(nc1)n(nc2c3cccc(O)c3)C(C)(C)C)N
CACTVS 3.341CC(C)(C)n1nc(c2cccc(O)c2)c3c(N)ncnc13
Name:3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL
DrugBank: DB04463
ZINC: ZINC000006744107
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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