Reaction Details Report a problem with these data
Target
Melanocortin receptor 5
Ligand
BDBM50211393
Substrate
n/a
Meas. Tech.
ChEMBL_434966 (CHEMBL919367)
IC50
700±n/a nM
Citation
 Bednarek, MA; MacNeil, T; Tang, R; Fong, TM; Cabello, MA; Maroto, M; Teran, A Potent and selective agonists of human melanocortin receptor 5: cyclic analogues of alpha-melanocyte-stimulating hormone. J Med Chem 50:2520-6 (2007) [PubMed]  Article 
Target
Name:
Melanocortin receptor 5
Synonyms:
MC-2 | MC5-R | MC5R | MC5R_HUMAN | Melanocortin MC5 | Melanocortin receptor (M4 and M5) | Melanocortin receptor 5 | Melanocortin receptor 5 (MC5R)
Type:
Enzyme
Mol. Mass.:
36612.92
Organism:
Homo sapiens (Human)
Description:
P33032
Residue:
325
Sequence:
MNSSFHLHFLDLNLNATEGNLSGPNVKNKSSPCEDMGIAVEVFLTLGVISLLENILVIGAIVKNKNLHSPMYFFVCSLAVADMLVSMSSAWETITIYLLNNKHLVIADAFVRHIDNVFDSMICISVVASMCSLLAIAVDRYVTIFYALRYHHIMTARRSGAIIAGIWAFCTGCGIVFILYSESTYVILCLISMFFAMLFLLVSLYIHMFLLARTHVKRIAALPGASSARQRTSMQGAVTVTMLLGVFTVCWAPFFLHLTLMLSCPQNLYCSRFMSHFNMYLILIMCNSVMDPLIYAFRSQEMRKTFKEIICCRGFRIACSFPRRD
  
Inhibitor
Name:
BDBM50211393
Synonyms:
Ac-Nle4-cyclo(Asp5-Oic6-D-4,4'-Bic7-Pip8-Trp9-Lys10)-NH2 | CHEMBL2371972
Type:
Small organic molecule
Emp. Form.:
C59H88N10O9
Mol. Mass.:
1081.3916
SMILES:
[H][C@]12CC3CCCCC3N1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])CCCCN1C(=O)[C@H](CC1CCC(CC1)C1CCCCC1)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O |wU:48.53,25.27,1.0,wD:12.75,71.79,21.72,39.43,(24.36,-.05,;23.9,-1.86,;23.14,-.52,;21.63,-.82,;20.39,.09,;18.98,-.52,;18.8,-2.05,;20.04,-2.97,;21.45,-2.35,;22.86,-2.99,;22.16,-4.37,;20.7,-3.86,;21.86,-5.88,;21.98,-7.41,;22.51,-8.86,;21.14,-9.58,;23.4,-10.11,;24.61,-11.07,;26.02,-11.67,;27.55,-11.87,;29.08,-11.64,;30.48,-11.02,;31.67,-10.04,;32.55,-8.77,;33.92,-9.47,;33.05,-7.32,;34.56,-7.62,;35.06,-9.07,;34.17,-10.33,;35.09,-11.57,;36.55,-11.07,;37.89,-11.82,;39.21,-11.04,;39.19,-9.5,;37.85,-8.74,;36.53,-9.53,;33.14,-5.78,;32.82,-4.27,;34.26,-3.74,;32.09,-2.91,;33.8,-3.68,;33.59,-2.55,;34.03,-1.07,;32.97,.04,;31.47,-.32,;31.03,-1.8,;29.71,-1.01,;30.31,.41,;28.22,-.6,;28.42,.92,;27.2,1.86,;25.78,1.26,;24.55,2.2,;24.75,3.72,;26.17,4.32,;27.39,3.38,;23.52,4.66,;22.1,4.07,;20.88,5,;21.07,6.53,;22.5,7.12,;23.72,6.19,;26.68,-.62,;25.21,-1.05,;24.58,.36,;31.29,-12.33,;32.83,-12.28,;30.57,-13.69,;20.32,-5.78,;19.47,-7.07,;20.16,-8.45,;17.94,-6.98,;17.09,-8.26,;17.78,-9.64,;16.93,-10.93,;17.62,-12.3,;17.25,-5.6,;15.71,-5.51,;15.02,-4.13,;14.86,-6.79,)|
Structure:
Search PDB for entries with ligand similarity: