Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50001520
Substrate
n/a
Meas. Tech.
ChEMBL_106347 (CHEMBL713802)
IC50
3.4±n/a nM
Citation
 Balse-Srinivasan, P; Grieco, P; Cai, M; Trivedi, D; Hruby, VJ Structure-activity relationships of novel cyclic alpha-MSH/beta-MSH hybrid analogues that lead to potent and selective ligands for the human MC3R and human MC5R. J Med Chem 46:3728-33 (2003) [PubMed]  Article 
Target
Name:
Melanocortin receptor 4
Synonyms:
MC4-R | MC4R | MC4R_HUMAN | Melanocortin MC4 | Melanocortin receptor 4 (MC-4) | Melanocortin receptor 4 (MC4-R) | Melanocortin receptor 4 (MC4R)
Type:
Enzyme
Mol. Mass.:
36949.50
Organism:
Homo sapiens (Human)
Description:
P32245
Residue:
332
Sequence:
MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
  
Inhibitor
Name:
BDBM50001520
Synonyms:
CHEMBL2111807
Type:
Small organic molecule
Emp. Form.:
C72H96N18O16S2
Mol. Mass.:
1533.774
SMILES:
CC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O |wU:100.108,85.93,52.56,3.2,37.39,26.28,wD:8.76,77.84,12.12,90.97,62.67,(-3.08,-11.89,;-4.04,-10.69,;-5.56,-10.93,;-3.48,-9.19,;-1.99,-9.59,;-.44,-9.53,;1.04,-9.05,;2.31,-8.18,;3.32,-7.01,;3.96,-5.59,;4.21,-4.07,;5.75,-4.11,;4.03,-2.53,;5.52,-2.16,;7.01,-2.55,;7.93,-3.79,;9.39,-3.3,;9.37,-1.75,;10.5,-.71,;10.16,.79,;8.68,1.25,;7.55,.2,;7.9,-1.29,;3.44,-1.11,;2.5,.12,;3.58,1.21,;1.26,1.03,;1.99,2.38,;3.54,2.42,;4.28,3.78,;5.83,3.82,;6.57,5.18,;8.12,5.2,;5.78,6.51,;-.19,1.58,;-1.72,1.72,;-1.8,3.26,;-3.25,1.44,;-3.73,2.91,;-3.33,4.41,;-1.84,4.83,;-1.45,6.31,;-2.56,7.4,;-2.16,8.89,;-3.26,9.98,;-4.76,9.54,;-5.14,8.06,;-4.04,6.99,;-4.43,5.49,;-4.64,.76,;-5.79,-.26,;-6.96,.74,;-6.63,-1.57,;-8.03,-.92,;-8.17,.62,;-7,1.64,;-7.63,3.06,;-9.15,2.92,;-9.5,1.42,;-7.07,-3.05,;-7.1,-4.59,;-8.64,-4.77,;-6.72,-6.08,;-8.15,-6.67,;-9.38,-5.72,;-10.81,-6.31,;-12.02,-5.36,;-11.02,-7.83,;-5.95,-7.43,;-4.85,-8.5,;-5.76,-9.75,;4.61,-7.83,;3.6,-8.89,;5.01,-9.31,;3.98,-10.33,;4.63,-11.64,;6.06,-11.42,;6.07,-10.08,;7.17,-9.33,;7.18,-8,;8.35,-9.96,;9.7,-9.21,;8.67,-8.19,;9.31,-6.88,;10.75,-7.09,;10.75,-8.44,;11.85,-9.18,;11.85,-10.51,;13.02,-8.56,;14.14,-9.26,;15.21,-10.03,;15.21,-11.36,;16.36,-12.03,;16.36,-13.36,;17.51,-14.03,;17.51,-15.35,;16.31,-9.28,;16.32,-7.94,;17.48,-9.91,;18.83,-9.14,;19.88,-8.37,;19.88,-7.04,;21.04,-6.38,;22.31,-6.71,;21.04,-5.05,;20.99,-9.12,;20.9,-10.45,;22.18,-8.54,)|
Structure:
Search PDB for entries with ligand similarity: