Ki Summary

Reaction Details

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Target

Melanocortin receptor 5

Ligand

BDBM50205746

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_442418 (CHEMBL892580)

IC50

123±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

BDBM50205746

n/a

Name

BDBM50205746

Synonyms:

(2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(3-carbamimidamidopropyl)-2-[(4-chlorophenyl)methyl]-8-(1H-indol-3-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 | CHEMBL391796

Type

Small organic molecule

Emp. Form.

C52H68ClN13O8

Mol. Mass.

1038.632

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](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)|

Structure