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Name | Melanocyte-stimulating hormone receptor |
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Species | Homo sapiens (Human) |
Gene | MC1R |
Synonym | MSH-R Melanocortin receptor 1 melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) MC1-R MC1 receptor |
Disease | Atopic dermatitis |
Length | 317 |
Amino acid sequence | MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVVATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVIDVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFIAYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGAVTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAFHSQELRRTLKEVLTCSW |
UniProt | Q01726 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q01726 |
3D structure model | This predicted structure model is from GPCR-EXP Q01726. |
BioLiP | N/A |
Therapeutic Target Database | T35842 |
ChEMBL | CHEMBL3795 |
IUPHAR | 282 |
DrugBank | BE0002447 |
Name | CHEMBL2096742 |
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Molecular formula | C54H71N15O9 |
IUPAC name | (3S,6S,9R,12S,15R,23S)-15-[[(2R)-2-acetamidohexanoyl]amino]-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-9-(naphthalen-2-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxamide |
Molecular weight | 1074.26 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 13 |
XlogP | 1.3 |
Synonyms | 21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminomethaniminium)-propyl]-10-(1H-indol-3-ylmethyl)-4-naphthalen-2-ylmethyl-2,5,8,11,19,22-hexaoxo-3,6,9,12,18,23-hexaaza-tricyclo[21.7.0.0*24,29*]triaconta-24(29),25,27 Shu-9119 BDBM50121268 BDBM50410410 CID44366078 |
Inchi Key | GGYWLZFXFKFWKL-GLWNXGLNSA-N |
Inchi ID | InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45+/m0/s1 |
PubChem CID | 70691332 |
ChEMBL | CHEMBL2096742 |
IUPHAR | N/A |
BindingDB | 50121268, 50410410 |
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 |
---|---|---|---|
%max | 100.0 % | PMID19473029 | ChEMBL |
EC50 | 0.036 nM | PMID13678399 | ChEMBL |
EC50 | 0.036 nM | PMID13678399 | BindingDB |
EC50 | 1.5 nM | PMID19473029 | BindingDB,ChEMBL |
IC50 | 1.0 nM | PMID19473029 | BindingDB,ChEMBL |
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