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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 | MLS000331008 |
---|---|
Molecular formula | C19H17F3N4O4 |
IUPAC name | 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenoxy]acetohydrazide |
Molecular weight | 422.364 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 2.6 |
Synonyms | 2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenoxy}acetohydrazide MolPort-001-733-788 2-[(4E)-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanehydrazide 879464-60-5 F3385-1487 [ Show all ] |
Inchi Key | BNUDLNJGHPVWMB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H17F3N4O4/c1-29-11-4-2-10(3-5-11)16-17(25-26-18(16)19(20,21)22)13-7-6-12(8-14(13)27)30-9-15(28)24-23/h2-8,27H,9,23H2,1H3,(H,24,28)(H,25,26) |
PubChem CID | 2014540 |
ChEMBL | CHEMBL1526545 |
IUPHAR | N/A |
BindingDB | 61504 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2750.48 nM | PubChem BioAssay data set | ChEMBL |
IC50 | 2750.48 nM | N/A | BindingDB |
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