BioLiP

PDB

BioLiP

PDB CCD ID:

F3Y

Number of entries in BioLiP:

Chemical formula:

C20 H26 N2 O2

InChI:

InChI=1S/C20H26N2O2/c1-3-5-6-13-24-19-12-8-11-18(15-19)21-16-9-7-10-17(14-16)22-20(23)4-2/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,22,23)

InChIKey:

QMKCCMACIHDBEU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCOc1cccc(c1)Nc2cccc(c2)NC(=O)CC
CACTVS 3.385	CCCCCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1

Name:

~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide

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).