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Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50545751
Substrate
n/a
Meas. Tech.
ChEMBL_1996341 (CHEMBL4630236)
Ki
1800±n/a nM
Citation
 Reynaud, S; Ciolek, J; Degueldre, M; Saez, NJ; Sequeira, AF; Duhoo, Y; Brás, JLA; Meudal, H; Cabo Díez, M; Fernández Pedrosa, V; Verdenaud, M; Boeri, J; Pereira Ramos, O; Ducancel, F; Vanden Driessche, M; Fourmy, R; Violette, A; Upert, G; Mourier, G; Beck-Sickinger, AG; Mörl, K; Landon, C; Fontes, CMGA; Miñambres Herráiz, R; Rodríguez de la Vega, RC; Peigneur, S; Tytgat, J; Quinton, L; De Pauw, E; Vincentelli, R; Servent, D; Gilles, N A Venomics Approach Coupled to High-Throughput Toxin Production Strategies Identifies the First Venom-Derived Melanocortin Receptor Agonists. J Med Chem 63:8250-8264 (2020) [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:
BDBM50545751
Synonyms:
CHEMBL4633001
Type:
Small organic molecule
Emp. Form.:
C116H196N42O34S6
Mol. Mass.:
2915.448
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC)[C@@H](C)O |r|
Structure:
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