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Target
Delta-type/Kappa-type/Mu-type opioid receptor
Ligand
BDBM50474627
Substrate
n/a
Meas. Tech.
ChEMBL_145715 (CHEMBL754083)
Ki
55±n/a nM
Citation
 Bhushan, RG; Sharma, SK; Xie, Z; Daniels, DJ; Portoghese, PS A bivalent ligand (KDN-21) reveals spinal delta and kappa opioid receptors are organized as heterodimers that give rise to delta(1) and kappa(2) phenotypes. Selective targeting of delta-kappa heterodimers. J Med Chem 47:2969-72 (2004) [PubMed]  Article 
Target
Name:
Delta-type/Kappa-type/Mu-type opioid receptor
Synonyms:
Opioid receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 145715
Components:
This complex has 3 components.
Component 1
Name:
Mu-type opioid receptor
Synonyms:
M-OR-1 | MOR-1 | Mor | OPIATE Mu | OPRM_MOUSE | Opioid receptors; mu and delta | Oprm | Oprm1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44431.62
Organism:
MOUSE
Description:
OPIATE Mu OPRM1 MOUSE::P42866
Residue:
398
Sequence:
MDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
  
Component 2
Name:
Delta-type opioid receptor
Synonyms:
DOR-1 | K56 | MSL-2 | OPIATE Delta | OPRD_MOUSE | Opioid receptors; mu and delta | Oprd1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
40577.25
Organism:
MOUSE
Description:
P32300
Residue:
372
Sequence:
MELVPSARAELQSSPLVNLSDAFPSAFPSAGANASGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTQPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRTPCGRQEPGSLRRPRQATTRERVTACTPSDGPGGGAAA
  
Component 3
Name:
Kappa-type opioid receptor
Synonyms:
KOR-1 | MSL-1 | OPIATE Kappa | OPRK_MOUSE | Oprk1
Type:
Enzyme
Mol. Mass.:
42656.78
Organism:
Mus musculus (Mouse)
Description:
P33534
Residue:
380
Sequence:
MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
  
Inhibitor
Name:
BDBM50474627
Synonyms:
CHEMBL440626
Type:
Small organic molecule
Emp. Form.:
C68H77N13O12
Mol. Mass.:
1268.4189
SMILES:
[H][C@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(O)Cc1c2[nH]c2ccc(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCC\N=C(/N)Nc4ccc5[nH]c6c(C[C@]7(O)C8Cc9ccc(O)c%10O[C@@]6([H])C7(CCN8CC6CC6)c9%10)c5c4)cc12)ccc3O |TLB:66:65:86.69.68:81.79.80,82:81:65:86.69.68,74:86:65:81.79.80,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13|
Structure:
Search PDB for entries with ligand similarity: