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Target
Mu-type opioid receptor
Ligand
BDBM50166050
Substrate
n/a
Meas. Tech.
ChEMBL_303715 (CHEMBL829050)
Ki
15±n/a nM
Citation
 Martinek, TA; Otvös, F; Dervarics, M; Tóth, G; Fülöp, F Ligand-based prediction of active conformation by 3D-QSAR flexibility descriptors and their application in 3+3D-QSAR models. J Med Chem 48:3239-50 (2005) [PubMed]  Article
Target
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:
BDBM50166050
Synonyms:
(1S,2R)-2-[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylamino]-cyclopentanecarboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide | (1S,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)cyclopentanecarboxamide | CHEMBL363787
Type:
Small organic molecule
Emp. Form.:
C33H39N5O5
Mol. Mass.:
585.6933
SMILES:
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Structure:
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