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BioLiP

PDB CCD ID: EMB
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O2
InChI: InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
InChIKey: SURZCVYFPAXNGN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCOC(=O)NC
ACDLabs 10.04O=C(OCC)NC
Name:METHYL-CARBAMIC ACID ETHYL ESTER
ChEMBL: CHEMBL1232511
DrugBank: DB02856
ZINC: ZINC000001648261
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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