Ki Summary

Reaction Details

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Target

Mu-type opioid receptor

Ligand

BDBM50297292

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_582957 (CHEMBL1055013)

0.143±n/a nM

Citation

Balboni, G; Trapella, C; Sasaki, Y; Ambo, A; Marczak, ED; Lazarus, LH; Salvadori, S Influence of the side chain next to C-terminal benzimidazole in opioid pseudopeptides containing the Dmt-Tic pharmacophore. J Med Chem52:5556-9 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Mu-type opioid receptor

Name:

Mu-type opioid receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

44503.11

Organism:

Rattus norvegicus (rat)

Description:

Competition binding assays were carried out using membrane preparations from transfected HN9.10 cells that constitutively expressed the mu opioid receptor.

Residue:

398

Sequence:

MDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQT
GSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATST
LPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRT
PRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFA
FIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYV
IIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQ
QNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP

BDBM50297292

n/a

Name

BDBM50297292

Synonyms:

(3S,6R,9S,12S)-1H-benzo[d]imidazol-2-yl 1-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)-12-(4-aminobutyl)-9-benzyl-6-(3-guanidinopropyl)-3-(4-hydroxy-2,6-dimethylbenzyl)-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecan-13-oate | CHEMBL553221

Type

Small organic molecule

Emp. Form.

C60H74N12O8

Mol. Mass.

1091.3052

SMILES

Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r,wU:41.44,52.55,63.67,wD:10.11,23.26,27.29,(11.09,-21.91,;9.76,-21.14,;8.41,-21.88,;7.06,-21.1,;5.73,-21.87,;7.08,-19.57,;8.43,-18.8,;8.43,-17.26,;9.76,-19.57,;11.09,-18.8,;11.09,-17.26,;9.76,-16.49,;12.42,-16.49,;12.42,-14.95,;13.76,-17.26,;13.72,-18.82,;15.07,-19.6,;15.07,-21.13,;16.4,-21.9,;17.73,-21.13,;17.73,-19.6,;16.4,-18.84,;16.4,-17.3,;15.08,-16.53,;15.08,-14.99,;13.75,-14.22,;16.42,-14.22,;16.42,-12.68,;17.75,-11.91,;19.09,-12.68,;20.42,-11.91,;20.42,-10.37,;21.77,-12.68,;21.76,-14.23,;23.09,-15,;20.43,-14.99,;19.09,-14.22,;17.75,-14.99,;15.08,-11.91,;15.08,-10.37,;13.75,-12.68,;12.42,-11.91,;12.42,-10.37,;13.75,-9.6,;13.75,-8.06,;15.08,-7.29,;15.08,-5.75,;16.42,-4.98,;13.75,-4.98,;11.08,-12.68,;11.08,-14.22,;9.75,-11.91,;8.41,-12.68,;8.41,-14.22,;7.08,-14.99,;7.08,-16.54,;5.73,-17.31,;4.38,-16.54,;4.38,-14.99,;5.73,-14.21,;7.08,-11.91,;5.74,-12.68,;7.08,-10.37,;5.74,-9.6,;4.41,-10.37,;4.41,-11.91,;3.08,-12.68,;3.08,-14.22,;1.74,-14.99,;5.74,-8.06,;4.41,-7.29,;7.08,-7.29,;8.49,-7.91,;9.52,-6.77,;11.06,-6.78,;11.83,-5.45,;11.06,-4.11,;9.53,-4.11,;8.76,-5.44,;7.24,-5.75,)|

Structure