Ki Summary

Reaction Details

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Target

Melanocortin receptor 5

Ligand

BDBM50205742

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_442419 (CHEMBL892581)

EC50

>10000±n/a nM

Citation

Ballet, S; Mayorov, AV; Cai, M; Tymecka, D; Chandler, KB; Palmer, ES; Rompaey, KV; Misicka, A; Tourwé, D; Hruby, VJ Novel selective human melanocortin-3 receptor ligands: use of the 4-amino-1,2,4,5-tetrahydro-2-benzazepin-3-one (Aba) scaffold. Bioorg Med Chem Lett17:2492-8 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Melanocortin receptor 5

Name:

Melanocortin receptor 5

Synonyms:

Type:

Enzyme

Mol. Mass.:

36612.92

Organism:

Homo sapiens (Human)

Description:

P33032

Residue:

325

Sequence:

MNSSFHLHFLDLNLNATEGNLSGPNVKNKSSPCEDMGIAVEVFLTLGVISLLENILVIGA
IVKNKNLHSPMYFFVCSLAVADMLVSMSSAWETITIYLLNNKHLVIADAFVRHIDNVFDS
MICISVVASMCSLLAIAVDRYVTIFYALRYHHIMTARRSGAIIAGIWAFCTGCGIVFILY
SESTYVILCLISMFFAMLFLLVSLYIHMFLLARTHVKRIAALPGASSARQRTSMQGAVTV
TMLLGVFTVCWAPFFLHLTLMLSCPQNLYCSRFMSHFNMYLILIMCNSVMDPLIYAFRSQ
EMRKTFKEIICCRGFRIACSFPRRD

BDBM50205742

n/a

Name

BDBM50205742

Synonyms:

(S)-3-((R)-2-acetamidohexanamido)-4-(2-((S)-1-((S)-1-((S)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-5-guanidino-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-3-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-ylamino) | CHEMBL234456

Type

Small organic molecule

Emp. Form.

C54H73N13O10

Mol. Mass.

1064.2385

SMILES

CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)|

Structure