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BioLiP

PDB CCD ID: 651
Number of entries in BioLiP: 4
Chemical formula: C19 H21 N O
InChI: InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2/t19-/m0/s1
InChIKey: WPCQYFUQHBLGAX-IBGZPJMESA-N
SMILES:
SoftwareSMILES
CACTVS 3.352O[C]1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2ccc(cc2)C3(CN4CCC3CC4)O
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O
CACTVS 3.352O[C@@]1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4
Name:(3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol
ZINC: ZINC000013556871
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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