Target
Delta-type opioid receptor
Ligand
BDBM50452248
Substrate
n/a
Meas. Tech.
ChEBML_146782
Ki
1035±n/a nM
Citation
 Gairin, JEMazarguil, HAlvinerie, PSaint-Pierre, SMeunier, JCCros, J Synthesis and biological activities of dynorphin A analogues with opioid antagonist properties. J Med Chem 29:1913-7 (1986) [PubMed]  Article 
Target
Name:
Delta-type opioid receptor
Synonyms:
Cytochrome P450 3A4 | DOR-1 | Delta opioid receptor | Delta-type opioid receptor | Delta-type opioid receptor (DOR) | OPIATE Delta | OPRD_RAT | Opiate Delta 1 | Opioid receptor | Opioid receptor A | Opioid receptors; mu & delta | Oprd1 | Ror-a | Voltage-gated potassium channel
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
40465.04
Organism:
Rattus norvegicus (rat)
Description:
Competition binding assays were using CHO-K1 cell membranes expressing the opioid receptor.
Residue:
372
Sequence:
MEPVPSARAELQFSLLANVSDTFPSAFPSASANASGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTQPRDGAVVCTLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRAPCGGQEPGSLRRPRQATARERVTACTPSDGPGGGAAA
  
Inhibitor
Name:
BDBM50452248
Synonyms:
CHEMBL3037891
Type:
Small organic molecule
Emp. Form.:
C77H109N23O13
Mol. Mass.:
1564.8357
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)|
Structure:
Search PDB for entries with ligand similarity: