BioLiP

PDB

BioLiP

PDB CCD ID:

W5F

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	CN(CC[C@@H](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O
OpenEye OEToolkits 2.0.7	CN(CC[C@H](c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O
CACTVS 3.385	CN(CC[CH](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O
OpenEye OEToolkits 2.0.7	CN(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, Lydia 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).