Reaction Details Report a problem with these data
Target
Mu-type opioid receptor
Ligand
BDBM438978
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
<1±n/a nM
Citation
 Wynn, TA; Alvarez, JC; Moustakas, DT; Haeberlein, M; Pennington, LD Compounds for the treatment of pain US Patent  US11180455 Publication Date 11/23/2021 
Target
Name:
Mu-type opioid receptor
Synonyms:
M-OR-1 | MOP | MOR-1 | MOR1 | MUOR1 | Mu Opioid Receptor | Mu opiate receptor | OPIATE Mu | OPRM1 | OPRM_HUMAN | hMOP | mu-type opioid receptor isoform MOR-1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
44789.51
Organism:
Homo sapiens (Human)
Description:
P35372
Residue:
400
Sequence:
MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
  
Inhibitor
Name:
BDBM438978
Synonyms:
US10604489, Compound 139 | US11180455, Compound 139
Type:
Small organic molecule
Emp. Form.:
C20H29N3O3
Mol. Mass.:
359.4626
SMILES:
CO[C@H]1C[C@H](C1)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O |r,wU:4.6,2.1,TLB:17:14:10.9.11:13.7.6,THB:4:6:14:10.9.11,15:14:10.9.11:13.7.6,(-8.15,-.9,;-6.81,-1.67,;-5.48,-.9,;-5.08,.59,;-3.59,.19,;-3.99,-1.29,;-2.26,.96,;-.78,.57,;.69,.94,;.68,2.47,;-.8,2.86,;-.01,1.55,;-0,.02,;-1.49,-.37,;1.48,-.37,;1.48,-1.91,;2.81,-2.68,;2.81,.4,;2.81,1.94,;4.15,2.71,;5.48,1.94,;5.48,.4,;4.15,-.37,;6.81,-.37,;8.15,.4,;6.81,-1.91,)|
Structure:
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