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BioLiP

PDB CCD ID: J41
Number of entries in BioLiP: 1
Chemical formula: C19 H15 N3 O
InChI: InChI=1S/C19H15N3O/c1-13-12-16(23)22-19(20-13)17(14-8-4-2-5-9-14)18(21-22)15-10-6-3-7-11-15/h2-12,20H,1H3
InChIKey: BMPPFRFXVLJIEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1
ACDLabs 12.01c4cccc(c3c1n(C(C=C(N1)C)=O)nc3c2ccccc2)c4
CACTVS 3.385CC1=CC(=O)n2nc(c3ccccc3)c(c4ccccc4)c2N1
Name:5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
ChEMBL: CHEMBL4859703
ZINC: ZINC000002497535
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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