Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50581317
Substrate
n/a
Meas. Tech.
ChEMBL_2150514 (CHEMBL5034976)
Ki
100±n/a nM
Citation
 Durek, T; Kaas, Q; White, AM; Weidmann, J; Fuaad, AA; Cheneval, O; Schroeder, CI; de Veer, SJ; Dellsén, A; Österlund, T; Larsson, N; Knerr, L; Bauer, U; Plowright, AT; Craik, DJ Melanocortin 1 Receptor Agonists Based on a Bivalent, Bicyclic Peptide Framework. J Med Chem 64:9906-9915 (2021) [PubMed]  Article 
Target
Name:
Melanocortin receptor 3
Synonyms:
MC3-R | MC3R | MC3R_HUMAN | Melanocortin MC3 | Melanocortin receptor (M3 and M4)
Type:
Enzyme
Mol. Mass.:
36044.86
Organism:
Homo sapiens (Human)
Description:
P41968
Residue:
323
Sequence:
MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
  
Inhibitor
Name:
BDBM50581317
Synonyms:
CHEMBL5087814
Type:
Small organic molecule
Emp. Form.:
C93H118N24O14S2
Mol. Mass.:
1860.214
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccc3ccccc3c1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N1 |r|
Structure:
Search PDB for entries with ligand similarity: