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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 | MLS000706839 |
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Molecular formula | C16H13Cl3N2O3S |
IUPAC name | (Z)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide |
Molecular weight | 419.701 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | 10K-372S cid_1475345 (2Z)-2,3-dichloro-3-[(2-chlorophenyl)methanesulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide AC1LRPAT (Z)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxy-3-pyridinyl)-2-propenamide [ Show all ] |
Inchi Key | KGNTURBTSFOMRB-CCEZHUSRSA-N |
Inchi ID | InChI=1S/C16H13Cl3N2O3S/c1-24-13-7-6-11(8-20-13)21-16(22)14(18)15(19)25(23)9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H,21,22)/b15-14+ |
PubChem CID | 1475345 |
ChEMBL | CHEMBL1382438 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 3254.89 nM | PubChem BioAssay data set | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218