Ki Summary

Reaction Details

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Target

Kappa-type opioid receptor

Ligand

BDBM50059841

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2214431 (CHEMBL5127563)

IC50

>1000±n/a nM

Citation

Smith, MT; Kong, D; Kuo, A; Imam, MZ; Williams, CM Analgesic Opioid Ligand Discovery Based on Nonmorphinan Scaffolds Derived from Natural Sources. J Med Chem65:1612-1661 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Kappa-type opioid receptor

Name:

Kappa-type opioid receptor

Synonyms:

KOR-1 | MSL-1 | OPIATE Kappa | OPRK_MOUSE | Oprk1

Type:

Enzyme

Mol. Mass.:

42656.78

Organism:

Mus musculus (Mouse)

Description:

P33534

Residue:

380

Sequence:

MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPV
IITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYL
MNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINI
CIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVL
IIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALG
STSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRV
RNTVQDPASMRDVGGMNKPV

BDBM50059841

n/a

Name

BDBM50059841

Synonyms:

(S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide | (S)-2-Amino-N-{(R)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-ethyl}-3-(4-hydroxy-phenyl)-propionamide | 1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-2-hydroxy-ethyl)-amide | 1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-2-hydroxy-ethyl)-amide (Dermorphin) | 1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-2-hydroxy-ethyl)-amide(Dermorphin) | CHEMBL278789 | DERMORPHIN | Dermorphin;1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-2-hydroxy-ethyl)-amide | H-Tyr-D-Ala-Phe-Gly-Tyr-Pro-Ser-NH2 | Tyr-Ala-Phe-Gly-Tyr-Pro-Ser | YAFGYPS-NH2

Type

Small organic molecule

Emp. Form.

C40H50N8O10

Mol. Mass.

802.8726

SMILES

C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|

Structure