Ki Summary

Reaction Details

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Target

Melanocortin receptor 5

Ligand

BDBM50205744

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_442418 (CHEMBL892580)

IC50

87±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

BDBM50205744

n/a

Name

BDBM50205744

Synonyms:

(2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(3-carbamimidamidopropyl)-8-(1H-indol-3-ylmethyl)-2-(naphthalen-2-ylmethyl)-3,6,9,17,20,31-hexaoxo-1,4,7,10,16,21-hexaazatricyclo[20.8.1.0^{24,29}]hentriaconta-24(29),25,27-triene-11-carboxamide | CHEMBL391704

Type

Small organic molecule

Emp. Form.

C56H71N13O8

Mol. Mass.

1054.2452

SMILES

CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)|

Structure