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BioLiP

PDB CCD ID: QPN
Number of entries in BioLiP: 2
Chemical formula: C15 H16 F N3 O
InChI: InChI=1S/C15H16FN3O/c1-2-15(20)18-7-6-14-11(10-18)9-17-19(14)13-5-3-4-12(16)8-13/h3-5,8-9H,2,6-7,10H2,1H3
InChIKey: PBPQRCMCEYVHIP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1
CACTVS 3.385CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3
Name:1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
ChEMBL: CHEMBL4853862
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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