BioLiP

PDB

BioLiP

PDB CCD ID:

EMM

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O2

InChI:

InChI=1S/C4H7NO2/c1-3-5(2)4(6)7/h3H,1H2,2H3,(H,6,7)

InChIKey:

RIKKDQCPYLBOND-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN(C=C)C(O)=O
ACDLabs 10.04	O=C(O)N(\C=C)C
OpenEye OEToolkits 1.5.0	CN(C=C)C(=O)O

Name:

[METHYL(VINYL)AMINO]METHANOL;
N,N-ETHYLMETHYLCARBAMATE

ZINC:

ZINC000004633182

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).