Reaction Details Report a problem with these data
Target
Delta-type opioid receptor
Ligand
BDBM50312861
Substrate
n/a
Meas. Tech.
ChEMBL_615881 (CHEMBL1102715)
IC50
>10000±n/a nM
Citation
 Ballet, S; Marczak, ED; Feytens, D; Salvadori, S; Sasaki, Y; Abell, AD; Lazarus, LH; Balboni, G; Tourwé, D Novel multiple opioid ligands based on 4-aminobenzazepinone (Aba), azepinoindole (Aia) and tetrahydroisoquinoline (Tic) scaffolds. Bioorg Med Chem Lett 20:1610-3 (2010) [PubMed]  Article 
Target
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
  
Inhibitor
Name:
BDBM50312861
Synonyms:
(2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S)-2,2',2''-(2,2',2''-(2,2',2''-nitrilotris(ethane-2,1-diyl)tris(azanediyl))tris(2-oxoethane-2,1-diyl))tris(3-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepine-4,2-diyl))tris(2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide) | CHEMBL1076726
Type:
Small organic molecule
Emp. Form.:
C75H93N13O12
Mol. Mass.:
1368.6208
SMILES:
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: