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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 | CHEMBL210011 |
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Molecular formula | C34H44N6O3 |
IUPAC name | N-[(2R)-1-[(2S,4S)-2-[3-(diaminomethylideneamino)propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide |
Molecular weight | 584.765 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 3.6 |
Synonyms | BDBM50191561 (S)-N-((R)-1-((2S,4S)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)piperidine-2-carboxamide |
Inchi Key | AIBOPTDBFGOAQA-ZELYBYEASA-N |
Inchi ID | InChI=1S/C34H44N6O3/c35-34(36)38-18-8-13-28-21-29(43-23-25-15-16-26-11-4-5-12-27(26)19-25)22-40(28)33(42)31(20-24-9-2-1-3-10-24)39-32(41)30-14-6-7-17-37-30/h1-5,9-12,15-16,19,28-31,37H,6-8,13-14,17-18,20-23H2,(H,39,41)(H4,35,36,38)/t28-,29-,30?,31+/m0/s1 |
PubChem CID | 44413829 |
ChEMBL | CHEMBL210011 |
IUPHAR | N/A |
BindingDB | 50191561 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 28.0 nM | PMID16854081 | BindingDB,ChEMBL |
Emax | 101.0 % | PMID16854081 | ChEMBL |
Ki | 125.0 nM | PMID16854081 | BindingDB,ChEMBL |
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