Reaction Details Report a problem with these data
Target
Mu-type opioid receptor
Ligand
BDBM50135219
Substrate
n/a
Meas. Tech.
ChEMBL_1546048 (CHEMBL3748891)
Ki
2042±n/a nM
Citation
 Schembri, LS; Stoddart, LA; Briddon, SJ; Kellam, B; Canals, M; Graham, B; Scammells, PJ Synthesis, Biological Evaluation, and Utility of Fluorescent Ligands Targeting theľ-Opioid Receptor. J Med Chem 58:9754-67 (2015) [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:
BDBM50135219
Synonyms:
CHEMBL3746843
Type:
Small organic molecule
Emp. Form.:
C28H37Cl2N3O5
Mol. Mass.:
566.516
SMILES:
Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51C=C[C@@]2(OC)[C@@]2([H])C(=O)N(CCCCCCN)C(=O)[C@@]12[H])ccc3O |r,wU:3.0,15.12,36.40,22.24,wD:19.21,16.17,9.7,c:18,THB:12:11:16:8.6.7,(13.23,-1.06,;10.62,-1.06,;2.86,1.65,;2.58,.65,;4.54,.65,;5.3,-.89,;3.91,-1.67,;3.91,-3.21,;2.58,-3.95,;1.25,-3.19,;2.15,-2.66,;,-3.95,;-1.24,-4.15,;1.37,-4.27,;3.06,-2.3,;2.58,-.85,;1.25,-1.67,;1.65,-.28,;.65,.23,;1.25,1.42,;1.92,-.01,;3.17,-.11,;,.68,;-.12,1.72,;-1.56,1.16,;-1.95,2.35,;-2.41,,;-3.98,.08,;-4.83,-1.24,;-6.4,-1.16,;-7.25,-2.47,;-8.81,-2.39,;-9.67,-3.71,;-10.92,-3.64,;-1.56,-1.33,;-1.99,-2.51,;,-.85,;-.15,-1.89,;5.3,-3.99,;6.65,-3.19,;6.65,-1.69,;7.74,-1.07,)|
Structure:
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