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BioLiP Library

PDB CCD ID: NPZ
Number of entries in BioLiP: 1
Chemical formula: C16 H13 N5
InChI: InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)
InChIKey: UOKGZPYGRJDACN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N
ACDLabs 10.04n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C)N
CACTVS 3.341Cn1nc(c2ccc3ccccc3c2)c4c(N)ncnc14
Name:1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
ChEMBL: CHEMBL1234815
DrugBank: DB08300
ZINC: ZINC000020149030
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)(download the PDF file).
  • 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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