BioLiP

PDB

BioLiP

PDB CCD ID:

XH1

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O

InChI:

InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)

InChIKey:

LZMATGARSSLFMQ-UHFFFAOYSA-N

SMILES:

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

Name:

N-propan-2-ylurea

ZINC:

ZINC000001652952

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).