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Name | Melanocortin receptor 4 |
---|---|
Species | Mus musculus (Mouse) |
Gene | Mc4r |
Synonym | MC4 receptor MC4-R |
Disease | N/A for non-human GPCRs |
Length | 332 |
Amino acid sequence | MNSTHHHGMYTSLHLWNRSSYGLHGNASESLGKGHPDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVRRVGIIISCIWAACTVSGVLFIIYSDSSAVIICLISMFFTMLVLMASLYVHMFLMARLHIKRIAVLPGTGTIRQGTNMKGAITLTILIGVFVVCWAPFFLHLLFYISCPQNPYCVCFMSHFNLYLILIMCNAVIDPLIYALRSQELRKTFKEIICFYPLGGICELSSRY |
UniProt | P56450 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3719 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL3577999 |
---|---|
Molecular formula | C52H70N12O8 |
IUPAC name | 2-[3-[(3R,9S,12S,15S,18S,21S,24S,27S)-15-(4-aminobutyl)-9,18,21-tribenzyl-12-methyl-2,8,11,14,17,20,23,26-octaoxo-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontan-24-yl]propyl]guanidine |
Molecular weight | 991.208 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 9 |
XlogP | 1.9 |
Synonyms | BDBM50089417 |
Inchi Key | GECURXWEFHHWFQ-LVXPXGLXSA-N |
Inchi ID | InChI=1S/C52H70N12O8/c1-33-44(65)62-41(32-36-20-9-4-10-21-36)50(71)64-29-15-25-43(64)51(72)63-28-14-24-42(63)49(70)59-38(23-13-27-56-52(54)55)46(67)60-40(31-35-18-7-3-8-19-35)48(69)61-39(30-34-16-5-2-6-17-34)47(68)58-37(45(66)57-33)22-11-12-26-53/h2-10,16-21,33,37-43H,11-15,22-32,53H2,1H3,(H,57,66)(H,58,68)(H,59,70)(H,60,67)(H,61,69)(H,62,65)(H4,54,55,56)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1 |
PubChem CID | 122178170 |
ChEMBL | CHEMBL3577999 |
IUPHAR | N/A |
BindingDB | 50089417 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kd | 5.012 nM | PMID25898270 | ChEMBL |
Ki | 5.0 nM | PMID25898270 | ChEMBL |
Ki | 5.0 nM | PMID25898270 | BindingDB |
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