BioLiP

PDB

BioLiP

PDB CCD ID:

U0P

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3 O2

InChI:

InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)

InChIKey:

QKUCRJSBLDVNFL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(Cc1cc(C)on1)C(=O)NC2CC2
OpenEye OEToolkits 2.0.7	Cc1cc(no1)CN(C)C(=O)NC2CC2
ACDLabs 12.01	C(N(C)Cc1noc(c1)C)(NC2CC2)=O

Name:

N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

ZINC:

ZINC000046885388

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).