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BioLiP

PDB CCD ID: 4HN
Number of entries in BioLiP: 2
Chemical formula: C23 H17 N3 O2
InChI: InChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27)
InChIKey: IMYDUDGJIZQSHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N
CACTVS 3.385CCOc1ccccc1c2ccc(cc2)c3nc4ccncc4c(O)c3C#N
ACDLabs 12.01N#Cc1c(O)c4c(nc1c3ccc(c2ccccc2OCC)cc3)ccnc4
Name:2-(2'-ETHOXYBIPHENYL-4-YL)-4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILE
ChEMBL: CHEMBL1957361
ZINC: ZINC000073310904
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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