Ki Summary

Reaction Details

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Target

Kappa-type opioid receptor

Ligand

BDBM50122521

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_145111 (CHEMBL751994)

IC50

1600±n/a nM

Citation

Hanessian, S; Parthasarathy, S; Mauduit, M; Payza, K The power of visual imagery in drug design. Isopavines as a new class of morphinomimetics and their human opioid receptor binding activity. J Med Chem46:34-48 (2002) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Kappa-type opioid receptor

Name:

Kappa-type opioid receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

42648.76

Organism:

Homo sapiens (Human)

Description:

P41145

Residue:

380

Sequence:

MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPV
IITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYL
MNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINI
CIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVL
IIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALG
STSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRV
RNTVQDPAYLRDIDGMNKPV

BDBM50122521

n/a

Name

BDBM50122521

Synonyms:

17-cyclopropylmethyl-16-methyl-4,13-di(4-methylhexahydro-1-pyrazinyl)-(16R)-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaene

Type

Small organic molecule

Emp. Form.

C31H45N5

Mol. Mass.

487.7225

SMILES

C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1CC1CC1)N1CCN(C)CC1 |wU:2.2,9.27,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:24.1:3.8,THB:7:8:24.1:16.11.10,25:24:3.8:16.11.10,12:11:24.1:3.8,(18.32,-10.24,;17.23,-11.34,;13.4,-10.08,;13.4,-8.52,;13.4,-6.98,;14.73,-6.21,;16.06,-6.98,;16.06,-8.52,;14.73,-9.29,;14.94,-13.17,;13.4,-13.17,;12.07,-12.4,;10.74,-13.17,;9.4,-12.4,;9.4,-10.85,;10.74,-10.08,;12.07,-10.85,;8.06,-10.06,;6.7,-10.83,;5.35,-10.04,;5.37,-8.48,;4.04,-7.7,;6.73,-7.71,;8.06,-8.5,;16.39,-12.61,;17.34,-13.81,;16.76,-15.24,;16.36,-16.73,;15.28,-15.64,;14.73,-4.67,;16.06,-3.9,;16.06,-2.36,;14.73,-1.59,;14.75,-.05,;13.4,-2.36,;13.39,-3.9,)|

Structure