BioLiP

PDB

BioLiP

PDB CCD ID:

FUU

Number of entries in BioLiP:

Chemical formula:

C16 H14 N4 O6

InChI:

InChI=1S/C16H14N4O6/c21-13(22)9-25-11-4-1-3-10(7-11)8-17-15(23)18-16-20-19-14(26-16)12-5-2-6-24-12/h1-7H,8-9H2,(H,21,22)(H2,17,18,20,23)

InChIKey:

COAUEHYQQBGZLC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(Nc1nnc(o1)c2occc2)NCc3cccc(OCC(=O)O)c3
CACTVS 3.370	OC(=O)COc1cccc(CNC(=O)Nc2oc(nn2)c3occc3)c1
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3

Name:

2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid

ChEMBL:

CHEMBL4576082

ZINC:

ZINC000095920723

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).