BioLiP

PDB

BioLiP

PDB CCD ID:

7SY

Number of entries in BioLiP:

Chemical formula:

C29 H30 F N O4

InChI:

InChI=1S/C29H30FNO4/c30-25-9-6-8-23(19-25)21-12-14-22(15-13-21)29(34)31(26-16-17-26)20-24-7-3-4-10-27(24)35-18-5-1-2-11-28(32)33/h3-4,6-10,12-15,19,26H,1-2,5,11,16-18,20H2,(H,32,33)

InChIKey:

MNZOAOAVCAPVOP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O
CACTVS 3.385	OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(F)c4
ACDLabs 12.01	c4c(CN(C1CC1)C(c3ccc(c2cc(F)ccc2)cc3)=O)c(ccc4)OCCCCCC(O)=O

Name:

6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid

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).