Ki Summary

Reaction Details

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Target

Melanocyte-stimulating hormone receptor

Ligand

BDBM50343650

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_747178 (CHEMBL1777641)

IC50

>1000±n/a nM

Citation

Mayorov, AV; Cai, M; Palmer, ES; Tanaka, DK; Cain, JP; Dedek, MM; Tan, B; Trivedi, D; Hruby, VJ Cyclic lactam hybrida-MSH/Agouti-related protein (AGRP) analogues with nanomolar range binding affinities at the human melanocortin receptors. Bioorg Med Chem Lett21:3099-102 (2011) [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

BDBM50343650

n/a

Name

BDBM50343650

Synonyms:

(2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methyl)-8,17-dibenzyl-2,11-bis(3-guanidinopropyl)-14-methyl-3,6,9,12,15,18,23-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosane-20-carboxamide | CHEMBL1775066

Type

Small organic molecule

Emp. Form.

C49H65N15O8

Mol. Mass.

992.1361

SMILES

C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)|

Structure