BioLiP

PDB

BioLiP

PDB CCD ID:

ZYM

Number of entries in BioLiP:

Chemical formula:

C19 H19 N O5

InChI:

InChI=1S/C19H19NO5/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)25-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,20,22)(H,23,24)

InChIKey:

SJGQLSMZNBWNEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O
ACDLabs 12.01	O=C(O)C(=O)CC(=O)NCCCc2cc(Oc1ccccc1)ccc2
CACTVS 3.370	OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1

Name:

2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid

ZINC:

ZINC000084669313

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).