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BioLiP

PDB CCD ID: ZZM
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N6
InChI: InChI=1S/C15H14N6/c1-10(2)21-15-13(14(16)18-9-19-15)12(20-21)6-5-11-4-3-7-17-8-11/h3-4,7-10H,1-2H3,(H2,16,18,19)
InChIKey: NYVMTNNWZOHTJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N
CACTVS 3.352CC(C)n1nc(C#Cc2cccnc2)c3c(N)ncnc13
ACDLabs 10.04n1c(c3c(nc1)n(nc3C#Cc2cccnc2)C(C)C)N
Name:1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
ChEMBL: CHEMBL1213119
ZINC: ZINC000058541984
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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