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Target
Mu-type opioid receptor
Ligand
BDBM50013760
Substrate
n/a
Meas. Tech.
ChEBML_146692
IC50
1160±n/a nM
Citation
 Klein, P; Nelson, WL; Yao, YH; Simon, EJ Electrophilic alpha-methylene-gamma-lactone and isothiocyanate opioid ligands related to etorphine. J Med Chem 33:2286-96 (1990) [PubMed]  Article 
Target
Name:
Mu-type opioid receptor
Synonyms:
MOR-1 | Mu opioid receptor | OPIATE Mu | OPRM1 | OPRM_BOVIN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
45038.37
Organism:
CALF
Description:
OPIATE Mu 2 0 CALF::P79350
Residue:
401
Sequence:
MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP
  
Inhibitor
Name:
BDBM50013760
Synonyms:
(R)-1-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)ethyl isothiocyanate | CHEMBL3038196
Type:
Small organic molecule
Emp. Form.:
C24H28N2O3S
Mol. Mass.:
424.556
SMILES:
[H][C@](C)(N=C=S)[C@@]1([H])C[C@]23C=C[C@]1(OC)[C@]1([H])Oc4c5c(C[C@@]2([H])N(C)CC[C@@]315)ccc4OC |wU:28.29,6.6,15.16,wD:9.9,12.13,1.0,22.24,c:10,TLB:25:24:9:19.20.21,(8.88,-11.44,;8.89,-9.57,;10.23,-10.34,;7.54,-10.33,;6.2,-11.09,;4.87,-11.85,;8.89,-8.03,;10.5,-8.98,;10.25,-7.28,;10.27,-5.75,;8.89,-5.73,;8.89,-7.09,;7.58,-7.25,;6.23,-8,;4.92,-7.2,;7.61,-5.71,;6.11,-6.05,;6.86,-4.21,;7.61,-2.67,;8.94,-3.44,;10.27,-2.67,;11.61,-3.44,;11.61,-4.98,;12,-6.47,;12.94,-5.76,;14.27,-6.53,;12.68,-3.86,;10.04,-3.86,;8.94,-4.96,;10.27,-1.12,;8.94,-.35,;7.61,-1.12,;6.27,-.35,;6.27,1.19,)|
Structure:
Search PDB for entries with ligand similarity: