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Name | Melanocortin receptor 4 |
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Species | Homo sapiens (Human) |
Gene | MC4R |
Synonym | MC4-R MC4 receptor |
Disease | Obesity; Sexual dysfunction Obesity; Diabetes Obesity Metabolic disorders Sexual dysfunction [ Show all ] |
Length | 332 |
Amino acid sequence | MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY |
UniProt | P32245 |
Protein Data Bank | N/A |
GPCR-HGmod model | P32245 |
3D structure model | This predicted structure model is from GPCR-EXP P32245. |
BioLiP | N/A |
Therapeutic Target Database | T72458 |
ChEMBL | CHEMBL259 |
IUPHAR | 285 |
DrugBank | N/A |
Name | CHEMBL400456 |
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Molecular formula | C31H40ClN7O2 |
IUPAC name | (3R)-N-[(2S)-1-[4-butan-2-yl-4-[(1-methyltetrazol-5-yl)methyl]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
Molecular weight | 578.158 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.0 |
Synonyms | BDBM50220689 (R)-N-((S)-1-(4-sec-butyl-4-((1-methyl-1H-tetrazol-5-yl)methyl)piperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
Inchi Key | AWOJJPZZOHGJMY-FJFCPSMQSA-N |
Inchi ID | InChI=1S/C31H40ClN7O2/c1-4-21(2)31(19-28-35-36-37-38(28)3)13-15-39(16-14-31)30(41)27(17-22-9-11-25(32)12-10-22)34-29(40)26-18-23-7-5-6-8-24(23)20-33-26/h5-12,21,26-27,33H,4,13-20H2,1-3H3,(H,34,40)/t21?,26-,27+/m1/s1 |
PubChem CID | 44441644 |
ChEMBL | CHEMBL400456 |
IUPHAR | N/A |
BindingDB | 50220689 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 107.0 % | PMID17768046 | ChEMBL |
EC50 | 3.9 nM | PMID17768046 | BindingDB,ChEMBL |
IC50 | 3.7 nM | PMID17768046 | BindingDB,ChEMBL |
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