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Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50339343
Substrate
n/a
Meas. Tech.
ChEMBL_736466 (CHEMBL1694294)
EC50
1180±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:
Melanocyte-stimulating hormone receptor
Synonyms:
MC1-R | MSHR_MOUSE | Mc1r | Melanocortin receptor 1 | Melanocyte-stimulating hormone receptor | Msh-r
Type:
PROTEIN
Mol. Mass.:
35238.60
Organism:
Mus musculus
Description:
ChEMBL_1498846
Residue:
315
Sequence:
MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
  
Inhibitor
Name:
BDBM50339343
Synonyms:
(S)-cis-(2R,5S,8S,11S,14S,17S,20R,25R,28S,31S)-31-((1H-imidazol-5-yl)methyl)-8-((1H-indol-3-yl)methyl)-11-(2-amino-2-oxoethyl)-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-25-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-2,17-dibenzyl-5-(3-guanidinopropyl)-14-methyl-3,6,9,12,15,18,26,29,33-nonaoxo-22,23,35-trithia-1,4,7,10,13,16,19,27,30-nonaazabicyclo[26.4.4]hexatriacontane-20-carboxamide | CHEMBL1688105
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)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)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:27.29,13.13,1.0,76.81,58.61,90.96,wD:5.5,67.109,48.51,38.40,72.93,105.113,(16.35,-42.78,;15.03,-41.99,;15.05,-40.44,;16.39,-39.69,;17.71,-40.47,;16.41,-38.16,;15.08,-37.36,;13.74,-38.12,;13.72,-39.66,;12.42,-37.32,;17.75,-37.4,;17.77,-35.85,;16.45,-35.07,;19.12,-35.1,;20.44,-35.89,;20.43,-37.42,;19.17,-38.32,;19.63,-39.8,;21.17,-39.82,;22.19,-40.97,;23.71,-40.67,;24.21,-39.21,;23.19,-38.05,;21.67,-38.35,;19.15,-33.56,;20.48,-32.8,;21.81,-33.59,;20.51,-31.26,;21.83,-30.48,;21.82,-28.93,;23.15,-28.16,;23.14,-26.62,;24.46,-25.83,;25.81,-26.59,;24.46,-24.29,;19.17,-30.49,;17.82,-31.26,;17.82,-32.8,;16.49,-30.49,;16.5,-28.94,;17.83,-28.18,;19.16,-28.96,;20.49,-28.2,;20.5,-26.66,;19.17,-25.88,;17.83,-26.65,;15.14,-31.25,;13.81,-30.47,;12.47,-31.23,;12.46,-29.69,;13.72,-28.81,;15.17,-29.3,;16.09,-28.06,;15.21,-26.81,;13.74,-27.26,;11.14,-30.46,;9.81,-31.23,;8.47,-30.47,;9.81,-32.78,;11.14,-33.55,;12.46,-32.78,;13.8,-33.56,;15.14,-32.79,;16.48,-33.58,;8.47,-33.56,;7.14,-32.8,;7.13,-31.26,;5.81,-33.58,;5.82,-35.11,;7.16,-35.87,;8.21,-39.74,;9.53,-40.52,;9.5,-42.06,;10.87,-42.79,;10.92,-44.33,;9.62,-45.15,;12.3,-45.03,;12.25,-46.58,;13.57,-47.38,;14.93,-46.65,;16.24,-47.46,;16.2,-49,;14.84,-49.74,;13.52,-48.93,;13.66,-44.28,;13.68,-42.74,;12.36,-41.95,;8.18,-42.85,;8.2,-44.39,;6.84,-42.09,;5.52,-42.88,;5.54,-44.42,;4.21,-45.2,;2.88,-44.44,;1.55,-45.22,;1.57,-46.76,;.25,-47.55,;2.92,-47.52,;4.23,-46.73,;4.17,-42.12,;2.85,-42.91,;4.16,-40.59,;4.48,-32.81,;3.14,-33.59,;3.15,-35.13,;1.81,-32.82,;1.8,-31.29,;.48,-33.6,;-.85,-32.84,;-.85,-31.3,;-2.18,-30.54,;-3.52,-31.32,;-4.85,-30.55,;-3.5,-32.86,;-2.17,-33.61,)|
Structure:
Search PDB for entries with ligand similarity: