SEQ2FUN

BioLiP

PDB CCD ID: NEQ
Number of entries in BioLiP: 11
Chemical formula: C6 H7 N O2
InChI: InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
InChIKey: HDFGOPSGAURCEO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCN1C(=O)C=CC1=O
ACDLabs 10.04O=C1C=CC(=O)N1CC
Name:N-ETHYLMALEIMIDE
ChEMBL: CHEMBL8211
DrugBank: DB02967
ZINC: ZINC000000901367
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).