Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50389771
Substrate
n/a
Meas. Tech.
ChEMBL_834298 (CHEMBL2073118)
Ki
2.5±n/a nM
Citation
 Conde-Frieboes, K; Thøgersen, H; Lau, JF; Sensfuss, U; Hansen, TK; Christensen, L; Spetzler, J; Olsen, HB; Nilsson, C; Raun, K; Dahl, K; Hansen, BS; Wulff, 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 3
Synonyms:
MC3-R | MC3R | MC3R_HUMAN | Melanocortin MC3 | Melanocortin receptor (M3 and M4)
Type:
Enzyme
Mol. Mass.:
36044.86
Organism:
Homo sapiens (Human)
Description:
P41968
Residue:
323
Sequence:
MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
  
Inhibitor
Name:
BDBM50389771
Synonyms:
CHEMBL2070243
Type:
Small organic molecule
Emp. Form.:
C83H127N21O18
Mol. Mass.:
1707.0264
SMILES:
CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)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:28.27,61.61,111.120,100.103,89.92,71.124,22.21,wD:37.36,47.47,53.53,75.76,113.117,(12.35,-13.87,;10.81,-13.85,;10.07,-12.5,;8.53,-12.47,;7.78,-11.13,;6.24,-11.1,;5.45,-12.42,;3.91,-12.39,;3.11,-13.71,;1.58,-13.68,;.83,-12.34,;-.71,-12.31,;-1.46,-10.96,;-3,-10.94,;-3.79,-12.26,;-3.04,-13.6,;-1.5,-13.63,;-3.84,-14.92,;-3.09,-16.27,;-1.55,-16.3,;-.76,-14.97,;-.8,-17.64,;.74,-17.67,;1.53,-16.35,;3.07,-16.37,;1.48,-19.01,;3.03,-19.04,;.69,-20.33,;1.44,-21.68,;2.98,-21.71,;3.78,-20.38,;5.31,-20.41,;6.06,-21.76,;6.11,-19.09,;.65,-23,;-.89,-22.97,;1.4,-24.35,;.61,-25.67,;-.93,-25.64,;-1.72,-26.96,;-1.12,-28.38,;-2.28,-29.39,;-3.6,-28.6,;-3.26,-27.1,;1.36,-27.01,;2.9,-27.04,;.57,-28.33,;1.32,-29.68,;.53,-31,;-1.02,-30.97,;2.86,-29.71,;3.64,-28.38,;3.6,-31.05,;5.14,-31.07,;5.89,-32.42,;5.09,-33.74,;5.84,-35.09,;5.05,-36.41,;5.93,-29.76,;5.18,-28.41,;7.48,-29.78,;8.26,-28.46,;7.69,-27.03,;8.73,-25.41,;8.72,-17.1,;7.63,-16.01,;30.7,-17.04,;30.67,-22.24,;29.33,-22.99,;29.3,-24.53,;27.96,-25.28,;27.94,-26.83,;26.59,-27.57,;25.27,-26.78,;25.29,-25.25,;23.93,-27.54,;23.9,-29.08,;25.22,-29.86,;26.63,-29.26,;27.65,-30.42,;26.86,-31.74,;27.32,-33.21,;26.27,-34.34,;24.77,-34,;24.32,-32.53,;25.36,-31.4,;22.6,-26.75,;21.26,-27.5,;21.23,-29.03,;19.93,-26.71,;19.95,-25.17,;21.3,-24.41,;21.33,-22.88,;22.66,-22.13,;22.69,-20.59,;21.37,-19.8,;24.03,-19.84,;18.59,-27.45,;17.26,-26.67,;17.29,-25.13,;15.92,-27.42,;15.9,-28.96,;17.22,-29.75,;18.57,-29,;19.89,-29.79,;19.86,-31.32,;18.52,-32.08,;17.2,-31.29,;14.6,-26.63,;13.26,-27.38,;13.23,-28.92,;11.94,-26.59,;12.04,-25.04,;10.4,-24.68,;9.72,-23.15,;9.55,-26.13,;10.66,-27.4,;9.79,-28.68,;10.46,-30.06,;29.26,-27.62,;30.6,-26.86,;29.23,-29.15,)|
Structure:
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