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Target
Melanocortin receptor 5
Ligand
BDBM50545751
Substrate
n/a
Meas. Tech.
ChEMBL_1996338 (CHEMBL4630233)
Ki
10000±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:
Melanocortin receptor 5
Synonyms:
MC-2 | MC5-R | MC5R | MC5R_HUMAN | Melanocortin MC5 | Melanocortin receptor (M4 and M5) | Melanocortin receptor 5 | Melanocortin receptor 5 (MC5R)
Type:
Enzyme
Mol. Mass.:
36612.92
Organism:
Homo sapiens (Human)
Description:
P33032
Residue:
325
Sequence:
MNSSFHLHFLDLNLNATEGNLSGPNVKNKSSPCEDMGIAVEVFLTLGVISLLENILVIGAIVKNKNLHSPMYFFVCSLAVADMLVSMSSAWETITIYLLNNKHLVIADAFVRHIDNVFDSMICISVVASMCSLLAIAVDRYVTIFYALRYHHIMTARRSGAIIAGIWAFCTGCGIVFILYSESTYVILCLISMFFAMLFLLVSLYIHMFLLARTHVKRIAALPGASSARQRTSMQGAVTVTMLLGVFTVCWAPFFLHLTLMLSCPQNLYCSRFMSHFNMYLILIMCNSVMDPLIYAFRSQEMRKTFKEIICCRGFRIACSFPRRD
  
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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