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Name | Proteinase-activated receptor 2 |
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Species | Homo sapiens (Human) |
Gene | F2RL1 |
Synonym | Protease-activated receptor-2 PAR2 PAR-2 GPR11 G-protein coupled receptor 11 [ Show all ] |
Disease | N/A |
Length | 397 |
Amino acid sequence | MRSPSAAWLLGAAILLAASLSCSGTIQGTNRSSKGRSLIGKVDGTSHVTGKGVTVETVFSVDEFSASVLTGKLTTVFLPIVYTIVFVVGLPSNGMALWVFLFRTKKKHPAVIYMANLALADLLSVIWFPLKIAYHIHGNNWIYGEALCNVLIGFFYGNMYCSILFMTCLSVQRYWVIVNPMGHSRKKANIAIGISLAIWLLILLVTIPLYVVKQTIFIPALNITTCHDVLPEQLLVGDMFNYFLSLAIGVFLFPAFLTASAYVLMIRMLRSSAMDENSEKKRKRAIKLIVTVLAMYLICFTPSNLLLVVHYFLIKSQGQSHVYALYIVALCLSTLNSCIDPFVYYFVSHDFRDHAKNALLCRSVRTVKQMQVSLTSKKHSRKSSSYSSSSTTVKTSY |
UniProt | P55085 |
Protein Data Bank | 5ndz, 5ndd |
GPCR-HGmod model | P55085 |
3D structure model | This structure is from PDB ID 5ndz. |
BioLiP | BL0377325, BL0377326 |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL5963 |
IUPHAR | 348 |
DrugBank | N/A |
Name | CHEMBL3902670 |
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Molecular formula | C32H43N5O4 |
IUPAC name | 3-amino-N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide |
Molecular weight | 561.727 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 6.1 |
Synonyms | BDBM50203292 SCHEMBL15120110 |
Inchi Key | KFVCQVXIFKORCI-QLADTWODSA-N |
Inchi ID | InChI=1S/C32H43N5O4/c1-3-21(2)28(31(40)37-17-15-32(16-18-37)14-13-23-11-7-8-12-24(23)32)35-29(38)25(19-22-9-5-4-6-10-22)34-30(39)26-20-27(33)36-41-26/h7-8,11-14,20-22,25,28H,3-6,9-10,15-19H2,1-2H3,(H2,33,36)(H,34,39)(H,35,38)/t21-,25-,28-/m0/s1 |
PubChem CID | 56640547 |
ChEMBL | CHEMBL3902670 |
IUPHAR | N/A |
BindingDB | 50203292 |
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 | 1200.0 nM | PMID27994760 | BindingDB,ChEMBL |
IC50 | 1258.93 nM | PMID27994760 | ChEMBL |
IC50 | 1259.0 nM | PMID27994760 | BindingDB |
Inhibition | 91.0 % | PMID27994760 | ChEMBL |
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