Reaction Details Report a problem with these data
Target
Delta-type opioid receptor
Ligand
BDBM50526891
Substrate
n/a
Meas. Tech.
ChEMBL_1901659 (CHEMBL4403881)
Ki
7.9±n/a nM
Citation
 Stefanucci, A; Dimmito, MP; Macedonio, G; Ciarlo, L; Pieretti, S; Novellino, E; Lei, W; Barlow, D; Houseknecht, KL; Streicher, JM; Mollica, A Potent, Efficacious, and Stable Cyclic Opioid Peptides with Long Lasting Antinociceptive Effect after Peripheral Administration. J Med Chem 63:2673-2687 (2020) [PubMed]  Article 
Target
Name:
Delta-type opioid receptor
Synonyms:
D-OR-1 | DOR-1 | Delta opioid receptor | Delta-type opioid receptor (Delta) | OPIATE Delta | OPRD | OPRD1 | OPRD_HUMAN | OPRK1 | opioid receptor, delta 1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
40382.98
Organism:
Homo sapiens (Human)
Description:
Competition binding assays were carried out using membrane preparations from transfected HN9.10 cells that constitutively expressed the delta opioid receptor.
Residue:
372
Sequence:
MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
  
Inhibitor
Name:
BDBM50526891
Synonyms:
CHEMBL4473632
Type:
Small organic molecule
Emp. Form.:
C62H68F8N10O14S2
Mol. Mass.:
1393.379
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,80.83,44.45,wD:61.62,40.40,(47.76,-44.43,;46.4,-43.65,;46.4,-42.08,;45.04,-44.43,;43.68,-43.65,;45.04,-45.99,;43.68,-45.21,;73.07,-40.39,;71.71,-39.61,;71.71,-38.04,;70.35,-40.39,;68.99,-39.61,;70.35,-41.95,;68.99,-41.17,;48.51,-39.83,;49.84,-39.06,;49.84,-37.52,;48.51,-36.76,;48.52,-35.22,;47.18,-34.45,;45.86,-35.22,;44.52,-34.45,;45.86,-36.76,;47.18,-37.52,;51.18,-39.83,;51.18,-41.37,;52.5,-39.06,;53.83,-39.84,;53.83,-41.4,;52.48,-42.17,;52.47,-43.73,;53.62,-45.44,;52.27,-46.21,;52.26,-47.76,;53.6,-48.55,;54.95,-47.77,;54.96,-46.22,;57.82,-46.78,;59.17,-45.99,;59.16,-44.43,;60.51,-43.65,;61.84,-44.41,;63.17,-43.64,;63.16,-42.1,;64.5,-44.39,;65.82,-43.62,;64.5,-45.93,;65.86,-46.71,;65.86,-48.27,;67.22,-49.04,;68.56,-48.26,;69.92,-49.02,;68.54,-46.69,;67.19,-45.92,;60.5,-42.11,;61.82,-41.33,;59.16,-41.35,;59.15,-39.81,;60.49,-39.04,;61.82,-39.8,;60.48,-37.5,;61.8,-36.73,;63.15,-37.49,;64.46,-36.72,;65.79,-37.49,;67.12,-36.71,;67.11,-35.17,;68.43,-34.39,;65.77,-34.41,;64.45,-35.19,;61.8,-35.19,;63.13,-34.42,;60.47,-34.43,;59.13,-35.2,;57.8,-34.44,;57.8,-32.9,;59.12,-32.13,;60.46,-32.89,;56.46,-32.15,;56.45,-30.6,;55.14,-32.91,;53.8,-32.16,;53.79,-30.61,;55.12,-29.85,;55.12,-28.32,;53.79,-27.55,;53.78,-26.01,;52.45,-28.34,;52.46,-29.87,;55.14,-34.45,;53.81,-35.23,;52.48,-34.46,;53.82,-36.76,;55.16,-37.52,;55.16,-39.06,;56.49,-39.82,)|
Structure:
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