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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 | CHEMBL3961183 |
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Molecular formula | C38H35Cl2FN6O2S2 |
IUPAC name | 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-5-fluoro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea |
Molecular weight | 761.756 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 10.2 |
Synonyms | BDBM245391 SCHEMBL16782768 US9428504, 141 |
Inchi Key | AZYHDNCJZJWION-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C38H35Cl2FN6O2S2/c1-37(2,3)19-46-14-12-38(13-15-46)20-47(33-28(48)18-23(41)31(32(33)38)34-42-26-16-21(39)9-11-29(26)50-34)27-7-5-4-6-24(27)43-35(49)45-36-44-25-10-8-22(40)17-30(25)51-36/h4-11,16-18,48H,12-15,19-20H2,1-3H3,(H2,43,44,45,49) |
PubChem CID | 136992583 |
ChEMBL | CHEMBL3961183 |
IUPHAR | N/A |
BindingDB | 245391 |
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 |
---|---|---|---|
Ki | 33.9 nM | , None | BindingDB,ChEMBL |
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