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Name | P2Y purinoceptor 1 |
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Species | Homo sapiens (Human) |
Gene | P2RY1 |
Synonym | ATP receptor Purinergic receptor P2Y1 purinergic receptor P2Y Purinergic receptor platelet ADP receptor [ Show all ] |
Disease | Thrombosis |
Length | 373 |
Amino acid sequence | MTEVLWPAVPNGTDAAFLAGPGSSWGNSTVASTAAVSSSFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEDMTLNILPEFKQNGDTSL |
UniProt | P47900 |
Protein Data Bank | 4xnv, 4xnw |
GPCR-HGmod model | P47900 |
3D structure model | This structure is from PDB ID 4xnv. |
BioLiP | BL0311594,BL0311596, BL0311593, BL0311590,BL0311591,BL0311592, BL0311589, BL0311588, BL0311595,BL0311597 |
Therapeutic Target Database | T67818 |
ChEMBL | CHEMBL4315 |
IUPHAR | 323 |
DrugBank | N/A |
Name | CHEMBL3926419 |
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Molecular formula | C34H36F3N5O3S |
IUPAC name | methyl 1'-(2,2-dimethylpropyl)-7-hydroxy-1-[2-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]spiro[2H-indole-3,4'-piperidine]-4-carboxylate |
Molecular weight | 651.749 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 8.1 |
Synonyms | US9120798, 43 BDBM177996 SCHEMBL15606093 |
Inchi Key | BBRHNLAJKXHCMH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H36F3N5O3S/c1-32(2,3)19-41-17-15-33(16-18-41)20-42(28-26(43)14-13-23(27(28)33)30(44)45-4)25-8-6-5-7-24(25)38-31-40-39-29(46-31)21-9-11-22(12-10-21)34(35,36)37/h5-14,43H,15-20H2,1-4H3,(H,38,40) |
PubChem CID | 90070489 |
ChEMBL | CHEMBL3926419 |
IUPHAR | N/A |
BindingDB | 177996 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
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IC50 | 8.0 nM | , None | BindingDB,ChEMBL |
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