BioLiP

PDB

BioLiP

PDB CCD ID:

SNZ

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2 O5

InChI:

InChI=1S/C15H16N2O5/c18-11-3-1-9(7-13(11)20)5-6-16-15(22)17-10-2-4-12(19)14(21)8-10/h1-4,7-8,18-21H,5-6H2,(H2,16,17,22)

InChIKey:

XPAUTCCLOUPUGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O
CACTVS 3.385	Oc1ccc(CCNC(=O)Nc2ccc(O)c(O)c2)cc1O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O

Name:

N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea

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).