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BioLiP

PDB CCD ID: Q0J
Number of entries in BioLiP: 1
Chemical formula: C19 H14 F N3
InChI: InChI=1S/C19H14FN3/c1-13-2-7-17-18(14-8-10-21-11-9-14)19(22-23(17)12-13)15-3-5-16(20)6-4-15/h2-12H,1H3
InChIKey: DLJKUEGEDDMTMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2n(c1)nc(c3ccc(F)cc3)c2c4ccncc4
ACDLabs 12.01c1c(C)ccc2n1nc(c2c3ccncc3)c4ccc(cc4)F
OpenEye OEToolkits 2.0.7Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4
Name:2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
ChEMBL: CHEMBL487581
ZINC: ZINC000040423352
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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