BioLiP

PDB

BioLiP

PDB CCD ID:

WBQ

Number of entries in BioLiP:

Chemical formula:

C13 H17 N O4

InChI:

InChI=1S/C13H17NO4/c1-18-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17)

InChIKey:

HVJNOFLVHNEZLB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	COc1ccccc1NC(=O)CCCCC(=O)O
CACTVS 3.385	COc1ccccc1NC(=O)CCCCC(O)=O

Name:

6-(2-methoxyanilino)-6-oxohexanoic acid

ZINC:

ZINC000035721247

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).