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BioLiP

PDB CCD ID: 460
Number of entries in BioLiP: 1
Chemical formula: C17 H15 N5
InChI: InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3
InChIKey: YRBHUKMLAGQYHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4
CACTVS 3.341Cc1cccc(n1)C2=C(CNN2)c3ccc4ncccc4n3
ACDLabs 10.04n1c(cccc1C4=C(c3nc2c(nccc2)cc3)CNN4)C
Name:2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE;
NAPHTHYRIDINE INHIBITOR
DrugBank: DB04434
ZINC: ZINC000012504353
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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