Reaction Details Report a problem with these data
Target
Mu-type opioid receptor
Ligand
BDBM50254124
Substrate
n/a
Meas. Tech.
ChEMBL_1686074 (CHEMBL4036553)
Ki
0.455000±n/a nM
Citation
 Watanabe, Y; Hayashida, K; Saito, D; Takahashi, T; Sakai, J; Nakata, E; Kanda, T; Iwai, T; Hirayama, S; Fujii, H; Yamakawa, T; Nagase, H Design and synthesis of novel? opioid receptor agonists with an azatricyclodecane skeleton for improving blood-brain barrier penetration. Bioorg Med Chem Lett 27:3495-3498 (2017) [PubMed]  Article 
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:
BDBM50254124
Synonyms:
CHEMBL4103044
Type:
Small organic molecule
Emp. Form.:
C28H32N2O3
Mol. Mass.:
444.5653
SMILES:
[H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1|
Structure:
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