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Name | G-protein coupled receptor 55 |
---|---|
Species | Homo sapiens (Human) |
Gene | GPR55 |
Synonym | GPR55 |
Disease | N/A |
Length | 319 |
Amino acid sequence | MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG |
UniProt | Q9Y2T6 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q9Y2T6 |
3D structure model | This predicted structure model is from GPCR-EXP Q9Y2T6. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1075322 |
IUPHAR | 109 |
DrugBank | BE0005802 |
Name | MLS001163538 |
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Molecular formula | C24H21N3O4S2 |
IUPAC name | 3-[(5E)-5-[[3-(4-methoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid |
Molecular weight | 479.569 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | 3-[(5E)-5-[[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid CHEMBL1360615 SR-01000788129-1 3-(5-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid CHEBI:92256 [ Show all ] |
Inchi Key | CNMBEYAZXFHTTF-DEDYPNTBSA-N |
Inchi ID | InChI=1S/C24H21N3O4S2/c1-15-12-18(31-2)8-9-19(15)22-16(14-27(25-22)17-6-4-3-5-7-17)13-20-23(30)26(24(32)33-20)11-10-21(28)29/h3-9,12-14H,10-11H2,1-2H3,(H,28,29)/b20-13+ |
PubChem CID | 1328217 |
ChEMBL | CHEMBL1360615 |
IUPHAR | N/A |
BindingDB | 61571 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 664.95 nM | PubChem BioAssay data set | ChEMBL |
IC50 | 664.952 nM | N/A | BindingDB |
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