Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50134946
Substrate
n/a
Meas. Tech.
ChEMBL_1681898 (CHEMBL4032175)
IC50
0.300000±n/a nM
Citation
 Zhou, Y; Mowlazadeh Haghighi, S; Zoi, I; Sawyer, JR; Hruby, VJ; Cai, M Design of MC1R Selective?-MSH Analogues with Canonical Amino Acids Leads to Potency and Pigmentation. J Med Chem 60:9320-9329 (2017) [PubMed]  Article 
Target
Name:
Melanocyte-stimulating hormone receptor
Synonyms:
MC1-R | MC1R | MSH-R | MSHR | MSHR_HUMAN | Melanocortin MC1 | Melanocortin receptor (M1 and M4) | Melanocortin receptor 1 (MC-1) | Melanocortin receptor 1 (MC1-R) | Melanocortin receptor 1 (MC1R)
Type:
Enzyme
Mol. Mass.:
34717.23
Organism:
Homo sapiens (Human)
Description:
Q01726
Residue:
317
Sequence:
MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVVATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVIDVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFIAYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGAVTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAFHSQELRRTLKEVLTCSW
  
Inhibitor
Name:
BDBM50134946
Synonyms:
CHEMBL2370964 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Arg-Trp-Asp-Arg-Phe-Gly-NH2
Type:
Small organic molecule
Emp. Form.:
C79H104N22O15
Mol. Mass.:
1601.8095
SMILES:
CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:68.72,8.22,90.96,wD:82.88,32.33,42.44,101.107,12.13,57.61,4.3,(2.47,-9.76,;1.17,-9.01,;1.19,-7.5,;-.16,-6.75,;-.14,-5.24,;-1.49,-4.47,;-2.84,-5.23,;-2.85,-6.73,;-4.17,-4.45,;-5.53,-5.2,;-6.86,-4.44,;-6.86,-2.92,;-8.22,-5.18,;-9.55,-4.42,;-8.24,-6.7,;-6.9,-7.44,;-5.56,-6.71,;-4.2,-7.47,;-4.23,-8.99,;-2.87,-9.75,;-5.57,-9.73,;-6.91,-8.97,;-4.17,-2.95,;-5.5,-2.19,;-2.82,-2.2,;1.2,-4.49,;1.22,-2.98,;2.54,-5.26,;3.9,-4.5,;5.23,-5.27,;5.21,-6.79,;6.58,-4.52,;7.92,-5.29,;7.92,-6.79,;9.25,-7.55,;10.69,-6.96,;11.71,-8.09,;10.92,-9.39,;9.41,-9.05,;9.28,-4.55,;9.3,-3.03,;10.61,-5.31,;11.96,-4.56,;11.96,-3.02,;11.17,-1.68,;9.62,-1.68,;8.85,-.34,;9.62,1.02,;8.85,2.36,;9.61,3.72,;11.17,3.72,;11.95,2.36,;11.17,1.02,;11.95,-.32,;13.31,-5.32,;13.29,-6.82,;14.65,-4.56,;15.99,-5.32,;15.98,-6.85,;17.32,-7.61,;17.3,-9.11,;18.65,-9.89,;18.63,-11.4,;19.98,-12.15,;17.29,-12.13,;17.35,-4.59,;17.36,-3.08,;18.69,-5.35,;20.05,-4.61,;20.05,-3.09,;21.4,-2.35,;22.81,-2.98,;23.86,-1.85,;23.1,-.55,;23.58,.89,;22.56,2.03,;21.03,1.71,;20.53,.28,;21.57,-.85,;21.37,-5.37,;21.37,-6.88,;22.73,-4.62,;24.06,-5.4,;24.06,-6.9,;25.41,-7.67,;26.74,-6.9,;25.39,-9.17,;25.41,-4.64,;25.43,-3.14,;26.76,-5.4,;28.12,-4.66,;28.13,-3.15,;29.48,-2.4,;29.48,-.89,;30.83,-.15,;30.84,1.36,;32.2,2.11,;29.51,2.12,;29.46,-5.43,;29.45,-6.93,;30.8,-4.67,;32.14,-5.44,;32.13,-6.95,;33.47,-7.71,;34.83,-6.96,;36.17,-7.72,;36.15,-9.24,;34.8,-9.99,;33.47,-9.22,;33.5,-4.69,;33.5,-3.19,;34.83,-5.46,;36.18,-4.72,;37.53,-5.48,;38.89,-4.73,;37.51,-6.99,)|
Structure:
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