Target
Melanocortin receptor 5
Ligand
BDBM50389779
Substrate
n/a
Meas. Tech.
ChEMBL_834299 (CHEMBL2073119)
Ki
3.4±n/a nM
Citation
 Conde-Frieboes, KThøgersen, HLau, JFSensfuss, UHansen, TKChristensen, LSpetzler, JOlsen, HBNilsson, CRaun, KDahl, KHansen, BSWulff, BS Identification and in vivo and in vitro characterization of long acting and melanocortin 4 receptor (MC4-R) selectivea-melanocyte-stimulating hormone (a-MSH) analogues. J Med Chem 55:1969-77 (2012) [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:
BDBM50389779
Synonyms:
CHEMBL2070252
Type:
Small organic molecule
Emp. Form.:
C93H145N27O20
Mol. Mass.:
1961.3153
SMILES:
CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:36.39,27.33,79.80,129.139,118.122,107.111,89.143,wD:17.24,8.13,4.4,93.95,131.136,(5.52,-51.26,;6.31,-49.94,;5.56,-48.59,;6.36,-47.27,;5.61,-45.92,;4.07,-45.92,;3.33,-44.53,;4.11,-43.23,;1.78,-44.53,;.99,-45.84,;1.74,-47.19,;.94,-48.51,;1.69,-49.86,;-.6,-48.51,;1.03,-43.18,;1.82,-41.86,;3.37,-41.86,;1.08,-40.52,;-.47,-40.52,;-1.26,-41.81,;-.65,-43.23,;-1.81,-44.24,;-3.15,-43.45,;-2.79,-41.95,;1.87,-39.19,;1.12,-37.84,;-.42,-37.84,;1.91,-36.53,;3.45,-36.53,;4.24,-35.26,;5.78,-35.26,;6.53,-36.6,;6.58,-33.94,;1.16,-35.18,;1.95,-33.86,;3.49,-33.86,;1.2,-32.52,;2,-31.19,;3.53,-31.19,;-.35,-32.52,;-1.09,-31.14,;-.3,-29.82,;-2.63,-31.14,;-3.38,-29.77,;-2.59,-28.45,;-1.05,-28.45,;-3.33,-27.1,;-2.54,-25.78,;-1,-25.78,;-.25,-27.16,;1.3,-27.16,;2.04,-28.53,;3.58,-28.53,;4.38,-27.27,;5.91,-27.27,;6.66,-28.61,;6.71,-25.95,;8.25,-25.95,;8.99,-27.32,;10.53,-27.32,;11.28,-28.69,;12.82,-28.69,;13.57,-30.07,;15.11,-30.07,;15.85,-31.44,;17.39,-31.44,;18.19,-30.15,;17.44,-28.8,;18.23,-27.48,;17.49,-26.14,;18.28,-24.82,;17.53,-23.47,;15.99,-23.28,;15.71,-21.78,;17.04,-21.02,;18.19,-22.08,;6.4,-44.6,;5.65,-43.26,;7.94,-44.6,;8.73,-43.31,;8.16,-41.88,;9.19,-40.25,;9.19,-31.94,;8.09,-30.86,;31.14,-31.94,;31.14,-37.09,;29.77,-37.84,;29.77,-39.38,;28.41,-40.13,;28.41,-41.67,;27.06,-42.42,;25.74,-41.63,;25.74,-40.1,;24.39,-42.38,;24.39,-43.93,;25.69,-44.71,;27.1,-44.11,;28.12,-45.26,;27.33,-46.58,;27.79,-48.06,;26.74,-49.19,;25.23,-48.85,;24.79,-47.38,;25.83,-46.25,;23.06,-41.6,;21.73,-42.35,;21.73,-43.88,;20.4,-41.56,;20.4,-40.01,;21.77,-39.26,;21.77,-37.73,;23.16,-36.97,;23.16,-35.44,;21.84,-34.65,;24.5,-34.68,;19.06,-42.3,;17.73,-41.52,;17.73,-39.98,;16.39,-42.27,;16.39,-43.81,;17.69,-44.6,;19.03,-43.85,;20.36,-44.64,;20.36,-46.17,;18.99,-46.92,;17.69,-46.13,;15.07,-41.48,;13.73,-42.23,;13.73,-43.76,;12.4,-41.44,;12.51,-39.88,;10.86,-39.53,;10.19,-38,;10.02,-40.97,;11.13,-42.24,;10.26,-43.52,;10.92,-44.91,;29.73,-42.46,;31.07,-41.71,;29.73,-44,)|
Structure:
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