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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 | CHEMBL2371963 |
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Molecular formula | C54H68N10O9 |
IUPAC name | (3S,6S,12S,20S,23S,26S)-12-[[(2S)-2-acetamidohexanoyl]amino]-23-(1H-indol-3-ylmethyl)-2,5,11,14,22,25-hexaoxo-3-[(4-phenylphenyl)methyl]-1,4,10,15,21,24-hexazatricyclo[24.3.0.06,10]nonacosane-20-carboxamide |
Molecular weight | 1001.2 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 8 |
XlogP | 3.7 |
Synonyms | Ac-Nle4-cyclo(Asp5-Pro6-D-4,4''-Bip7-Pip8-Trp9-Lys10)-NH2 BDBM50211383 CHEMBL373946 |
Inchi Key | BHIQIMLFSJYURU-BEGKBBJWSA-N |
Inchi ID | InChI=1S/C54H68N10O9/c1-3-4-17-41(58-33(2)65)49(68)61-44-31-47(66)56-26-11-10-19-40(48(55)67)59-50(69)42(30-37-32-57-39-18-9-8-16-38(37)39)60-51(70)45-20-12-27-63(45)53(72)43(62-52(71)46-21-13-28-64(46)54(44)73)29-34-22-24-36(25-23-34)35-14-6-5-7-15-35/h5-9,14-16,18,22-25,32,40-46,57H,3-4,10-13,17,19-21,26-31H2,1-2H3,(H2,55,67)(H,56,66)(H,58,65)(H,59,69)(H,60,70)(H,61,68)(H,62,71)/t40-,41-,42-,43-,44-,45-,46-/m0/s1 |
PubChem CID | 73354708 |
ChEMBL | CHEMBL2371963 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|
Activity | 40.0 % | PMID17455928 | ChEMBL |
IC50 | 1000.0 nM | PMID17455928 | ChEMBL |
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