Ki Summary

Reaction Details

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Target

Mu-type opioid receptor

Ligand

BDBM50013760

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_146692

IC50

1160±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

BDBM50013760

n/a

Name

BDBM50013760

Synonyms:

(R)-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 | CHEMBL3038196

Type

Small organic molecule

Emp. Form.

C24H28N2O3S

Mol. Mass.

424.556

SMILES

[H][C@](C)(N=C=S)[C@@]1([H])C[C@]23C=C[C@]1(OC)[C@]1([H])Oc4c5c(C[C@@]2([H])N(C)CC[C@@]315)ccc4OC |wU:28.29,6.6,15.16,wD:9.9,12.13,1.0,22.24,c:10,TLB:25:24:9:19.20.21,(8.88,-11.44,;8.89,-9.57,;10.23,-10.34,;7.54,-10.33,;6.2,-11.09,;4.87,-11.85,;8.89,-8.03,;10.5,-8.98,;10.25,-7.28,;10.27,-5.75,;8.89,-5.73,;8.89,-7.09,;7.58,-7.25,;6.23,-8,;4.92,-7.2,;7.61,-5.71,;6.11,-6.05,;6.86,-4.21,;7.61,-2.67,;8.94,-3.44,;10.27,-2.67,;11.61,-3.44,;11.61,-4.98,;12,-6.47,;12.94,-5.76,;14.27,-6.53,;12.68,-3.86,;10.04,-3.86,;8.94,-4.96,;10.27,-1.12,;8.94,-.35,;7.61,-1.12,;6.27,-.35,;6.27,1.19,)|

Structure