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BioLiP Library

PDB CCD ID: W5F
Number of entries in BioLiP: 1
Chemical formula: C24 H24 F N O3
InChI: InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
InChIKey: FDORQEIHOKEJNX-HSZRJFAPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(CC[C@@H](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O
OpenEye OEToolkits 2.0.7CN(CC[C@H](c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O
CACTVS 3.385CN(CC[CH](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O
OpenEye OEToolkits 2.0.7CN(CCC(c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O
Name:ALX5407;
2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid;
ALX-5407;
(R)-NFPS
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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