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Name | Melanocortin receptor 4 |
---|---|
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 | Ac-Ser-Tyr-Ser-Nle4-Glu-His-DPhe7-Arg-Trp-Gly-Lys-Pro-Val-NH2 |
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Molecular formula | C78H111N21O19 |
IUPAC name | (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]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]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
Molecular weight | 1646.87 |
Hydrogen bond acceptor | 22 |
Hydrogen bond donor | 22 |
XlogP | -3.9 |
Synonyms | Ac-Ser(1)-Tyr(2)-Ser(3)-Nle(4)-Glu(5)-His(6)-D-Phe(7)-Arg(8)-Trp(9)-Gly(10)-Lys(11)-Pro(12)-Val(13)-NH(2) Ac-Ser(1)-Tyr-Ser-Nle(4)-Glu-His(6)-D-Phe(7)-Arg(8)-Trp(9)-Gly-Lys-Pro-Val(13)-NH(2) |
Inchi Key | UAHFGYDRQSXQEB-LEBBXHLNSA-N |
Inchi ID | InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 |
PubChem CID | 44285019 |
ChEMBL | CHEMBL441738 |
IUPHAR | 1324 |
BindingDB | 50017181, 82411 |
DrugBank | DB04931 |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activation | 100.0 % | PMID12904077 | ChEMBL |
Activity | 14.0 % | PMID16451057 | ChEMBL |
Activity | 65.0 % | PMID16451057 | ChEMBL |
Activity | 69.0 % | PMID16451057 | ChEMBL |
Activity | 77.0 % | PMID16451057 | ChEMBL |
Activity | 83.0 % | PMID16451057 | ChEMBL |
Activity | 87.0 % | PMID16451057 | ChEMBL |
Activity | 89.0 % | PMID16451057 | ChEMBL |
Activity | 96.0 % | PMID16451057 | ChEMBL |
Activity | 100.0 % | PMID11150170 | ChEMBL |
Activity | 104.0 % | PMID16451057 | ChEMBL |
Activity | 128.0 % | PMID16451057 | ChEMBL |
EC50 | 0.017 nM | PMID13678399, PMID7658432 | BindingDB |
EC50 | 0.017 nM | PMID13678399, PMID7658432 | ChEMBL |
EC50 | 0.02 nM | PMID12904077 | BindingDB,ChEMBL |
EC50 | 0.14 nM | PMID22335602 | ChEMBL |
EC50 | 0.14 nM | PMID22335602 | BindingDB |
EC50 | 0.2 nM | PMID15771429, PMID11150170 | ChEMBL |
EC50 | 0.2 nM | PMID15771429, PMID11150170 | BindingDB |
EC50 | 0.51 nM | PMID12873485 | BindingDB |
EC50 | 0.51 nM | PMID12873485, PMID16451057 | ChEMBL |
EC50 | 0.72 nM | PMID9171884, PMID9216831 | ChEMBL |
EC50 | 0.72 nM | PMID9171884, PMID9216831 | BindingDB |
EC50 | 1.0 nM | PMID12161144, PMID12467633, PMID16451057 | BindingDB,ChEMBL |
EC50 | 1.1 nM | PMID16451057 | ChEMBL |
EC50 | 1.2 nM | PMID16451057 | ChEMBL |
EC50 | 1.4 nM | PMID16451057 | ChEMBL |
EC50 | 1.5 nM | PMID16451057 | ChEMBL |
EC50 | 2.0 nM | PMID16451057 | ChEMBL |
EC50 | 5.1 nM | PMID16451057 | ChEMBL |
EC50 | 9.0 nM | PMID16451057 | ChEMBL |
IC50 | 0.15 nM | PMID26988801, PMID27876250 | ChEMBL |
IC50 | 0.2 nM | PMID23582449 | ChEMBL |
IC50 | 0.4 nM | PMID15771429 | BindingDB |
IC50 | 0.4 nM | PMID15771429, PMID12904077 | ChEMBL |
IC50 | 0.4 nM | PMID12904077 | BindingDB |
IC50 | 0.48 nM | PMID23466604 | ChEMBL |
IC50 | 0.52 nM | PMID18983139 | ChEMBL |
IC50 | 1.16 nM | PMID9171884, PMID9216831 | ChEMBL |
IC50 | 1.2 nM | PMID9171884, PMID9216831 | BindingDB |
IC50 | 1.5 nM | PMID26988801, PMID27876250 | BindingDB |
IC50 | 3.3 nM | PMID11150170 | BindingDB,ChEMBL |
IC50 | 3.6 nM | PMID7658432 | BindingDB,ChEMBL |
IC50 | 14.0 nM | PMID24517312 | BindingDB,ChEMBL |
Ki | 0.3 nM | PMID22335602 | BindingDB |
Ki | 0.3 nM | PMID22335602 | ChEMBL |
Ki | 0.44 nM | PMID23466604 | ChEMBL |
Ki | 0.47 nM | PMID18983139 | ChEMBL |
Ki | 0.56 nM | PMID16451057 | ChEMBL |
Ki | 0.57 nM | PMID16451057 | ChEMBL |
Ki | 0.63 nM | PMID16451057 | ChEMBL |
Ki | 0.82 nM | PMID16451057 | ChEMBL |
Ki | 0.95 nM | PMID12873485 | ChEMBL |
Ki | 0.95 nM | PMID12873485 | BindingDB |
Ki | 0.97 nM | PMID16451057 | ChEMBL |
Ki | 1.2 nM | PMID16451057 | ChEMBL |
Ki | 1.3 nM | PMID16451057 | ChEMBL |
Ki | 1.58489 - 3.16228 nM | PMID10493100, PMID11101306, PMID6777774 | IUPHAR |
Ki | 3.98 nM | PMID15743921 | BindingDB |
Ki | 9.0 nM | PMID16451057 | ChEMBL |
Ki | 19.0 nM | PMID22011200 | ChEMBL |
Maximal effect | 100.0 % | PMID15771429 | ChEMBL |
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