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BioLiP Library

PDB CCD ID: A1LU8
Number of entries in BioLiP: 10
Chemical formula: C21 H18 F2 N2 O2
InChI: InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
InChIKey: YUYJEQHNWKQNBT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1c(F)cc(cc1F)c2cnccc2c3ccc(cc3)N4CCOCC4
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccncc2c3cc(c(c(c3)F)O)F)N4CCOCC4
Name:2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol
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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