SEQ2FUN

BioLiP

PDB CCD ID: EDR
Number of entries in BioLiP: 2
Chemical formula: C10 H16 N O
InChI: InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
InChIKey: VWLHWLSRQJQWRG-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC[N+](C)(C)c1cccc(c1)O
ACDLabs 10.04Oc1cccc(c1)[N+](C)(CC)C
CACTVS 3.341CC[N+](C)(C)c1cccc(O)c1
Name:EDROPHONIUM ION
ChEMBL: CHEMBL1104
DrugBank: DB01010
ZINC: ZINC000000001341
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).