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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 | CHEMBL400252 |
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Molecular formula | C32H42ClN7O2 |
IUPAC name | (3R)-N-[(2S)-3-(4-chlorophenyl)-1-[4-(2,2-dimethylpropyl)-4-[(1-methyltetrazol-5-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
Molecular weight | 592.185 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | BDBM50220696 (R)-N-((S)-3-(4-chlorophenyl)-1-(4-((1-methyl-1H-tetrazol-5-yl)methyl)-4-neopentylpiperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
Inchi Key | BPBFRWGCYGZAPG-SXOMAYOGSA-N |
Inchi ID | InChI=1S/C32H42ClN7O2/c1-31(2,3)21-32(19-28-36-37-38-39(28)4)13-15-40(16-14-32)30(42)27(17-22-9-11-25(33)12-10-22)35-29(41)26-18-23-7-5-6-8-24(23)20-34-26/h5-12,26-27,34H,13-21H2,1-4H3,(H,35,41)/t26-,27+/m1/s1 |
PubChem CID | 44441643 |
ChEMBL | CHEMBL400252 |
IUPHAR | N/A |
BindingDB | 50220696 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 76.0 % | PMID17768046 | ChEMBL |
EC50 | 21.0 nM | PMID17768046 | BindingDB,ChEMBL |
IC50 | 3.6 nM | PMID17768046 | BindingDB,ChEMBL |
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