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Target
Delta-type/Mu-type opioid receptor
Ligand
BDBM50000507
Substrate
n/a
Meas. Tech.
ChEMBL_2050540 (CHEMBL4705239)
EC50
1.8±n/a nM
Citation
 Faouzi, A; Uprety, R; Gomes, I; Massaly, N; Keresztes, AI; Le Rouzic, V; Gupta, A; Zhang, T; Yoon, HJ; Ansonoff, M; Allaoa, A; Pan, YX; Pintar, J; Morón, JA; Streicher, JM; Devi, LA; Majumdar, S Synthesis and Pharmacology of a Novel ?-? Opioid Receptor Heteromer-Selective Agonist Based on the Carfentanyl Template. J Med Chem 63:13618-13637 (2020) [PubMed]  Article 
Target
Name:
Delta-type/Mu-type opioid receptor
Synonyms:
Opioid receptors; mu and delta
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 851397
Components:
This complex has 2 components.
Component 1
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 2
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
  
Inhibitor
Name:
BDBM50000507
Synonyms:
(R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-5-guanidino-pentanoic acid [(S)-1-(2-carbamoyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide | (S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid | (S)-5-((S)-1-((S)-1-(2-amino-2-oxoethylamino)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-4-((S)-2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)propanamido)-3-phenylpropanamido)-5-oxopentanoic acid | 4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid | 4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid (deltorphin B) | CHEMBL20226 | DELTORPHIN-II | Tyr-D-Ala-Phe-Glu-Val-Val-Gly-NH2 | Tyr-D-Ala-Phe-Glu-Val-Val-GlyNH2
Type:
Small organic molecule
Emp. Form.:
C38H54N8O10
Mol. Mass.:
782.883
SMILES:
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: