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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 | CHEMBL188651 |
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Molecular formula | C29H39Cl2N5O3S |
IUPAC name | 3-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexyl]piperazin-1-yl]propan-2-yl]propanamide |
Molecular weight | 608.623 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 3.4 |
Synonyms | 3-Amino-N-[(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-(4-{1-[(2-thiophen-2-yl-acetylamino)-methyl]-cyclohexyl}-piperazin-1-yl)-ethyl]-propionamide BDBM50168642 |
Inchi Key | AWDCZSOETVHKLV-RUZDIDTESA-N |
Inchi ID | InChI=1S/C29H39Cl2N5O3S/c30-22-7-6-21(24(31)18-22)17-25(34-26(37)8-11-32)28(39)35-12-14-36(15-13-35)29(9-2-1-3-10-29)20-33-27(38)19-23-5-4-16-40-23/h4-7,16,18,25H,1-3,8-15,17,19-20,32H2,(H,33,38)(H,34,37)/t25-/m1/s1 |
PubChem CID | 44397030 |
ChEMBL | CHEMBL188651 |
IUPHAR | N/A |
BindingDB | 50168642 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 8.4 nM | PMID15950470 | BindingDB,ChEMBL |
Stimulation | 3.4 % | PMID15950470 | ChEMBL |
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