Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50339344
Substrate
n/a
Meas. Tech.
ChEMBL_736470 (CHEMBL1694298)
EC50
>100000±n/a nM
Citation
 Singh, A; Wilczynski, A; Holder, JR; Witek, RM; Dirain, ML; Xiang, Z; Edison, AS; Haskell-Luevano, C Incorporation of a bioactive reverse-turn heterocycle into a peptide template using solid-phase synthesis to probe melanocortin receptor selectivity and ligand conformations by 2D 1H NMR. J Med Chem 54:1379-90 (2011) [PubMed]  Article 
Target
Name:
Melanocortin receptor 3
Synonyms:
MC3-R | MC3R_MOUSE | Mc3r
Type:
PROTEIN
Mol. Mass.:
35808.24
Organism:
Mus musculus
Description:
ChEMBL_1498848
Residue:
323
Sequence:
MNSSCCLSSVSPMLPNLSEHPAAPPASNRSGSGFCEQVFIKPEVFLALGIVSLMENILVILAVVRNGNLHSPMYFFLCSLAAADMLVSLSNSLETIMIAVINSDSLTLEDQFIQHMDNIFDSMICISLVASICNLLAIAIDRYVTIFYALRYHSIMTVRKALTLIGVIWVCCGICGVMFIIYSESKMVIVCLITMFFAMVLLMGTLYIHMFLFARLHVQRIAVLPPAGVVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFKEILCGCNSMNLG
  
Inhibitor
Name:
BDBM50339344
Synonyms:
(R)-trans-(2S,5S,8S,11S,14S,17S,22R,25S,28R,31R)-25-((1H-imidazol-5-yl)methyl)-5-((1H-indol-3-yl)methyl)-8-(2-amino-2-oxoethyl)-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-22-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-14,31-dibenzyl-2-(3-guanidinopropyl)-11-methyl-3,6,9,12,15,23,26,29,33-nonaoxo-19,20,35-trithia-1,4,7,10,13,16,24,27,30-nonaazabicyclo[26.4.4]hexatriacontane-17-carboxamide | CHEMBL1688109
Type:
Small organic molecule
Emp. Form.:
C77H94N20O15S3
Mol. Mass.:
1635.89
SMILES:
C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:5.5,72.93,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,48.50,57.61,105.113,(15.46,-1.16,;14.14,-1.97,;14.18,-3.5,;15.53,-4.24,;16.85,-3.43,;15.58,-5.77,;14.26,-6.58,;12.91,-5.84,;12.87,-4.31,;11.6,-6.65,;16.93,-6.52,;16.96,-8.05,;15.65,-8.86,;18.31,-8.79,;19.63,-7.98,;19.59,-6.45,;18.32,-5.57,;18.76,-4.1,;20.3,-4.05,;21.3,-2.88,;22.82,-3.16,;23.33,-4.62,;22.33,-5.79,;20.82,-5.51,;18.36,-10.32,;19.71,-11.06,;21.02,-10.26,;19.75,-12.62,;21.09,-13.38,;21.11,-14.92,;22.45,-15.68,;22.46,-17.22,;23.79,-17.98,;25.12,-17.19,;23.8,-19.51,;18.45,-13.44,;17.09,-12.72,;15.79,-13.54,;15.7,-12,;14.37,-11.22,;14.4,-9.67,;13.07,-8.89,;11.72,-9.65,;11.71,-11.2,;13.04,-11.98,;14.42,-12.83,;13.12,-13.66,;11.75,-12.95,;13.19,-15.21,;14.56,-15.91,;15.85,-15.09,;17.21,-15.8,;18.52,-14.98,;19.89,-15.71,;11.89,-16.04,;10.52,-15.32,;10.45,-13.78,;9.22,-16.16,;9.29,-17.7,;7.98,-18.54,;7.9,-20.07,;6.41,-20.47,;5.59,-19.17,;6.56,-17.98,;7.84,-15.45,;7.77,-13.9,;9.07,-13.07,;6.38,-13.18,;6.39,-11.64,;5.07,-10.85,;7.49,-4.4,;8.81,-3.6,;8.77,-2.07,;10.1,-1.28,;10.08,.27,;8.73,1,;11.4,1.05,;11.36,2.59,;12.68,3.39,;14.03,2.65,;15.35,3.44,;15.3,4.99,;13.96,5.73,;12.64,4.93,;12.75,.31,;12.78,-1.22,;11.43,-1.96,;7.47,-1.27,;6.12,-2.02,;7.5,.27,;6.19,1.07,;4.84,.33,;3.52,1.13,;3.56,2.66,;2.25,3.46,;.9,2.73,;-.42,3.52,;.87,1.18,;2.18,.39,;6.22,2.61,;4.91,3.41,;7.57,3.35,;5.06,-13.97,;3.71,-13.22,;3.69,-11.68,;2.39,-14.01,;1.05,-13.26,;2.41,-15.55,;1.09,-16.33,;-.25,-15.58,;-1.57,-16.37,;-1.55,-17.9,;-2.87,-18.69,;-.2,-18.66,;1.12,-17.87,)|
Structure:
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