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Name | Melanocortin receptor 5 |
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Species | Homo sapiens (Human) |
Gene | MC5R |
Synonym | melanocortin receptor 5 MC5R MC5-R MC5 receptor MC-2 |
Disease | Acne vulgaris Seborrhea |
Length | 325 |
Amino acid sequence | MNSSFHLHFLDLNLNATEGNLSGPNVKNKSSPCEDMGIAVEVFLTLGVISLLENILVIGAIVKNKNLHSPMYFFVCSLAVADMLVSMSSAWETITIYLLNNKHLVIADAFVRHIDNVFDSMICISVVASMCSLLAIAVDRYVTIFYALRYHHIMTARRSGAIIAGIWAFCTGCGIVFILYSESTYVILCLISMFFAMLFLLVSLYIHMFLLARTHVKRIAALPGASSARQRTSMQGAVTVTMLLGVFTVCWAPFFLHLTLMLSCPQNLYCSRFMSHFNMYLILIMCNSVMDPLIYAFRSQEMRKTFKEIICCRGFRIACSFPRRD |
UniProt | P33032 |
Protein Data Bank | N/A |
GPCR-HGmod model | P33032 |
3D structure model | This predicted structure model is from GPCR-EXP P33032. |
BioLiP | N/A |
Therapeutic Target Database | T95302 |
ChEMBL | CHEMBL4608 |
IUPHAR | 286 |
DrugBank | N/A |
Name | CHEMBL214332 |
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Molecular formula | C77H109N21O19S |
IUPAC name | (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-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-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
Molecular weight | 1664.91 |
Hydrogen bond acceptor | 23 |
Hydrogen bond donor | 23 |
XlogP | -4.3 |
Synonyms | alpha-Melanotropin, 2-D-tyrosine- 75487-36-4 BDBM50029747 (alpha-MSH)Ac-Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2 Ac-Ser-Tyr-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2 [ Show all ] |
Inchi Key | WHNFPRLDDSXQCL-UAZQEYIDSA-N |
Inchi ID | InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 |
PubChem CID | 16132144 |
ChEMBL | CHEMBL214332 |
IUPHAR | N/A |
BindingDB | 50029747 |
DrugBank | N/A |
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 |
---|---|---|---|
Accumulation | 113.0 % | PMID15808454 | ChEMBL |
Activation | 100.0 % | PMID12904077 | ChEMBL |
cAMP accumulation | 113.0 % | PMID15582434 | ChEMBL |
EC50 | 8.1 nM | PMID12904077, PMID15771429 | BindingDB,ChEMBL |
EC50 | 17.0 nM | PMID15582434, PMID15808454, PMID15982875 | BindingDB,ChEMBL |
EC50 | 29.0 nM | PMID14552781 | BindingDB,ChEMBL |
EC50 | 360.0 nM | PMID20329799 | BindingDB,ChEMBL |
Emax | 105.0 % | PMID20329799 | ChEMBL |
IC50 | 18.0 nM | PMID15771429, PMID12904077 | BindingDB,ChEMBL |
IC50 | 118.0 nM | PMID15982875 | BindingDB,ChEMBL |
IC50 | 557.0 nM | PMID9171884 | BindingDB,ChEMBL |
Ki | 150.0 nM | PMID22335602 | BindingDB,ChEMBL |
Max | 113.0 % | PMID15982875 | ChEMBL |
Maximal effect | 100.0 % | PMID15771429 | ChEMBL |
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