Ki Summary

Reaction Details

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Target

Mu-type opioid receptor

Ligand

BDBM50013761

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_146692

IC50

0.320000±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

BDBM50013761

n/a

Name

BDBM50013761

Synonyms:

(R)-1-(3-cyclopropylmethyl-11,15-dimethoxy-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 | CHEMBL3038194

Type

Small organic molecule

Emp. Form.

C26H30N2O3S

Mol. Mass.

450.593

SMILES

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51CC([C@H](C)N=C=S)[C@]2(OC)C=C1)ccc3O |wU:16.16,1.0,wD:17.34,25.30,20.24,7.7,c:33,THB:10:9:17:4.5.6,(4.92,-5.69,;6.74,-5.28,;5.98,-3.79,;6.74,-2.25,;8.08,-3.02,;9.41,-2.25,;10.74,-3.02,;10.73,-4.56,;11.13,-6.05,;12.06,-5.34,;13.38,-6.11,;14.86,-5.7,;16.36,-6.1,;15.63,-4.37,;11.81,-3.44,;9.15,-3.44,;8.07,-4.53,;9.39,-5.33,;9.38,-6.86,;8.03,-7.59,;8.03,-9.15,;9.57,-9.15,;6.68,-9.9,;5.34,-10.66,;4,-11.42,;6.7,-6.82,;5.37,-7.57,;4.04,-6.77,;8.01,-6.67,;8.03,-5.3,;9.41,-.71,;8.07,.06,;6.74,-.71,;5.4,.06,)|

Structure