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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 | CHEMBL434966 |
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Molecular formula | C47H62N10O6 |
IUPAC name | N-[(2R)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-(pentanoylamino)-5-propan-2-yl-3,4-dihydro-1H-naphthalene-2-carboxamide |
Molecular weight | 863.077 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 9 |
XlogP | 3.9 |
Synonyms | BDBM50121893 SCHEMBL14117775 5-Isopropyl-2-pentanoylamino-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid ((S)-1-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethyl)-amide |
Inchi Key | CKBIMPTXKZDQRF-LSEIOZHPSA-N |
Inchi ID | InChI=1S/C47H62N10O6/c1-4-5-20-41(59)57-47(22-21-34-31(26-47)15-11-17-33(34)29(2)3)45(63)56-38(24-30-13-7-6-8-14-30)44(62)54-37(19-12-23-51-46(49)50)43(61)55-39(42(60)53-28-40(48)58)25-32-27-52-36-18-10-9-16-35(32)36/h6-11,13-18,27,29,37-39,52H,4-5,12,19-26,28H2,1-3H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t37-,38+,39-,47?/m0/s1 |
PubChem CID | 44278193 |
ChEMBL | CHEMBL434966 |
IUPHAR | N/A |
BindingDB | 50121893 |
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 |
---|---|---|---|
EC50 | 13.0 nM | PMID12467633 | BindingDB,ChEMBL |
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