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BioLiP Library

PDB CCD ID: 4V9
Number of entries in BioLiP: 1
Chemical formula: C17 H15 F N4
InChI: InChI=1S/C17H15FN4/c18-13-6-4-12(5-7-13)17-14-11-22(10-8-15(14)20-21-17)16-3-1-2-9-19-16/h1-7,9H,8,10-11H2,(H,20,21)
InChIKey: ZJRNBCJAMQCQNC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2
CACTVS 3.385Fc1ccc(cc1)c2[nH]nc3CCN(Cc23)c4ccccn4
ACDLabs 12.01c1(ccccn1)N4Cc3c(c2ccc(F)cc2)nnc3CC4
Name:3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
ChEMBL: CHEMBL3604843
ZINC: ZINC000263621344
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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