BioLiP

PDB

BioLiP

PDB CCD ID:

E8L

Number of entries in BioLiP:

Chemical formula:

C20 H26 N2 O4

InChI:

InChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24)

InChIKey:

VVNCNFPVMMKHFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O
CACTVS 3.385	CCN(c1ccc(C(C)C)c(OCCOC)c1)c2ccc(cn2)C(O)=O

Name:

6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic 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).