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Name | G-protein coupled receptor 55 |
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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 | MLS-0435427.0001 |
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Molecular formula | C24H20ClN3O4S2 |
IUPAC name | 4-[[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid |
Molecular weight | 514.011 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 5.3 |
Synonyms | 4-{[2-[(1-{[(4-chlorophenyl)amino]carbonyl}propyl)thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid cid_4189667 AKOS002090067 MLS001028354 4-[[2-[1-[(4-chlorophenyl)carbamoyl]propylthio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid [ Show all ] |
Inchi Key | CJNCFWYZCUQTRK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H20ClN3O4S2/c1-2-19(21(29)26-17-9-7-16(25)8-10-17)34-24-27-18-11-12-33-20(18)22(30)28(24)13-14-3-5-15(6-4-14)23(31)32/h3-12,19H,2,13H2,1H3,(H,26,29)(H,31,32) |
PubChem CID | 4189667 |
ChEMBL | CHEMBL1730779 |
IUPHAR | N/A |
BindingDB | 64818 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <32000.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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