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BioLiP

PDB CCD ID: F29
Number of entries in BioLiP: 1
Chemical formula: C21 H17 N7
InChI: InChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26)
InChIKey: WHPQRPGHYADIAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c(n1)N
CACTVS 3.341Nc1nn(CC=C)c2nnc(cc12)c3c4ccccn4nc3c5ccccc5
ACDLabs 10.04n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5C\C=C)N
Name:1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE;
FR296110
ChEMBL: CHEMBL199395
ZINC: ZINC000028565539
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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