SEQ2FUN

BioLiP

PDB CCD ID: MEC
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O2
InChI: InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)
InChIKey: AEARPZNULDFPNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(OC)NCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCNC(=O)OC
Name:ETHYL-CARBAMIC ACID METHYL ESTER
DrugBank: DB03919
ZINC: ZINC000002560077
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).