Ki Summary

Reaction Details

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Target

Mu-type opioid receptor

Ligand

BDBM50013766

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_146692

IC50

323±n/a nM

Citation

Klein, P; Nelson, WL; Yao, YH; Simon, EJ Electrophilic alpha-methylene-gamma-lactone and isothiocyanate opioid ligands related to etorphine. J Med Chem33:2286-96 (1990) [PubMed]

More Info.:

Get all data from this article, Assay Method

Mu-type opioid receptor

Name:

Mu-type opioid receptor

Synonyms:

MOR-1 | Mu opioid receptor | OPIATE Mu | OPRM1 | OPRM_BOVIN

Type:

Enzyme Catalytic Domain

Mol. Mass.:

45038.37

Organism:

CALF

Description:

OPIATE Mu 2 0 CALF::P79350

Residue:

401

Sequence:

MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLC
PSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALA
TSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALD
LRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVF
IFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIH
IYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSST
IEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP

BDBM50013766

n/a

Name

BDBM50013766

Synonyms:

(S)-1-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)ethyl isothiocyanate | CHEMBL3038195

Type

Small organic molecule

Emp. Form.

C24H28N2O3S

Mol. Mass.

424.556

SMILES

[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]51CC([C@H](C)N=C=S)[C@]2(OC)C=C1)ccc3OC |wU:13.12,1.0,wD:14.30,22.26,17.20,7.7,c:29,THB:10:9:14:4.5.6,(2.25,-4.63,;3.75,-4.29,;2.99,-2.78,;3.75,-1.25,;5.08,-2.01,;6.41,-1.25,;7.75,-2.02,;7.75,-3.56,;8.52,-4.9,;9.07,-4.33,;10.4,-5.11,;8.82,-2.43,;6.17,-2.43,;5.08,-3.54,;6.41,-4.33,;6.39,-5.85,;5.03,-6.6,;5.03,-8.14,;6.57,-8.14,;3.68,-8.91,;2.34,-9.66,;1.01,-10.43,;3.72,-5.82,;2.37,-6.57,;1.05,-5.78,;5.03,-5.67,;5.03,-4.3,;6.41,.3,;5.08,1.08,;3.75,.3,;2.41,1.08,;2.41,2.62,)|

Structure