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BioLiP

PDB CCD ID: 4GU
Number of entries in BioLiP: 2
Chemical formula: C11 H8 F N5
InChI: InChI=1S/C11H8FN5/c12-8-3-1-2-4-9(8)16-10-7-5-15-17-11(7)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
InChIKey: MEYYGZBRFGDWPZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F
ACDLabs 12.01Fc1ccccc1Nc2ncnc3c2cnn3
CACTVS 3.370Fc1ccccc1Nc2ncnc3[nH]ncc23
Name:N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
ChEMBL: CHEMBL2315560
ZINC: ZINC000011856414
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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