BioLiP

PDB

BioLiP

PDB CCD ID:

QZ1

Number of entries in BioLiP:

Chemical formula:

C19 H22 F N O2

InChI:

InChI=1S/C19H22FNO2/c1-2-3-4-5-8-14-9-6-10-15(13-14)21-17-12-7-11-16(20)18(17)19(22)23/h6-7,9-13,21H,2-5,8H2,1H3,(H,22,23)

InChIKey:

QLXYHXDPYBBBIM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F
ACDLabs 12.01	c1cc(c(c(F)c1)C(O)=O)Nc2cccc(c2)CCCCCC
CACTVS 3.385	CCCCCCc1cccc(Nc2cccc(F)c2C(O)=O)c1

Name:

2-fluoro-6-[(3-hexylphenyl)amino]benzoic 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).