BioLiP

PDB

BioLiP

PDB CCD ID:

XY4

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O

InChI:

InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)

InChIKey:

CIBUQXSYGPGEGX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(C)NC(=O)Nc1ccccc1
ACDLabs 12.01	N(C(=O)Nc1ccccc1)C(C)C

Name:

N-phenyl-N'-propan-2-ylurea

ZINC:

ZINC000000396199

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).