BioLiP

PDB

BioLiP

PDB CCD ID:

AYV

Number of entries in BioLiP:

Chemical formula:

C11 H16 N2 O3

InChI:

InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)

InChIKey:

NLGYHTMGWVQQIL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(CO)(CO)NC(=O)Nc1ccccc1

Name:

1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea

ZINC:

ZINC000000408628

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).