Ki Summary

Reaction Details

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Target

Melanocyte-stimulating hormone receptor

Ligand

BDBM50141042

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_69106 (CHEMBL678731)

IC50

1000±n/a nM

Citation

Han, G; Haskell-Luevano, C; Kendall, L; Bonner, G; Hadley, ME; Cone, RD; Hruby, VJ De novo design, synthesis, and pharmacology of alpha-melanocyte stimulating hormone analogues derived from somatostatin by a hybrid approach. J Med Chem47:1514-26 (2004) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Melanocyte-stimulating hormone receptor

Name:

Melanocyte-stimulating hormone receptor

Synonyms:

Type:

Enzyme

Mol. Mass.:

34717.23

Organism:

Homo sapiens (Human)

Description:

Q01726

Residue:

317

Sequence:

MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVV
ATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVI
DVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFI
AYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGA
VTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAF
HSQELRRTLKEVLTCSW

BDBM50141042

n/a

Name

BDBM50141042

Synonyms:

(2R,3S)-2-{[(3S,6R,9S,14R,17S)-14-[(2S)-2-amino-3-phenylpropanamido]-3-{3-[(diaminomethylidene)amino]propyl}-17-(1H-imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-1,4,7,15,18-pentaoxo-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,13H,14H,15H,16H,17H,18H,20H,25H,25aH-isoquinolino[3,2-m]1,2-dithia-5,8,11,14,17-pentaazacycloicosan-9-yl]formamido}-3-hydroxybutanamide | CHEMBL2372366

Type

Small organic molecule

Emp. Form.

C52H65N15O9S2

Mol. Mass.

1108.298

SMILES

[H][C@@]12Cc3ccccc3CN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@H]([C@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccccc1 |wU:28.62,13.15,70.76,46.51,wD:60.65,23.72,32.35,61.68,1.0,(10.8,.31,;9.63,-1.14,;9.63,.4,;8.29,1.16,;8.29,2.72,;6.95,3.49,;5.62,2.72,;5.62,1.16,;6.95,.4,;6.95,-1.14,;8.29,-1.91,;7.25,-3.06,;5.97,-2.21,;6.64,-4.46,;5.15,-4.06,;4.05,-2.97,;4.29,-1.43,;2.91,-.73,;1.82,-1.82,;2.52,-3.21,;6.47,-5.99,;6.8,-7.51,;5.34,-8.04,;7.55,-8.83,;8.71,-9.86,;10.12,-10.49,;11.65,-10.65,;13.14,-10.34,;14.49,-9.56,;15.52,-8.42,;16.15,-7.01,;17.64,-7.41,;16.31,-5.48,;17.85,-5.4,;18.69,-6.69,;20.22,-6.78,;20.62,-8.27,;19.33,-9.11,;19.08,-10.62,;17.65,-11.18,;16.45,-10.2,;16.7,-8.69,;18.13,-8.13,;15.99,-3.97,;15.22,-2.64,;16.4,-1.66,;14.08,-1.61,;14.91,-.31,;16.45,-.4,;17.29,.9,;18.83,.82,;19.67,2.11,;21.2,2.03,;18.97,3.49,;12.67,-.98,;11.13,-.82,;11.05,.71,;14.47,-11.09,;13.14,-11.85,;15.8,-11.88,;15.78,-13.42,;17.3,-13.62,;18.24,-12.45,;17.89,-15.01,;14.84,-14.59,;15.42,-15.98,;13.31,-14.38,;6.37,-9.81,;6.6,-11.33,;8.04,-11.89,;5.4,-12.31,;5.64,-13.82,;3.97,-11.75,;3.73,-10.23,;4.92,-9.25,;4.67,-7.73,;3.25,-7.18,;2.05,-8.15,;2.29,-9.67,)|

Structure