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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 | CHEMBL3901297 |
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Molecular formula | C38H37ClF3N5O3S |
IUPAC name | 1-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea |
Molecular weight | 736.251 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 3 |
XlogP | 9.8 |
Synonyms | BDBM245384 SCHEMBL16782868 US9428504, 134 |
Inchi Key | ABKZQCZUEKILKU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C38H37ClF3N5O3S/c1-36(2,3)21-46-18-16-37(17-19-46)22-47(33-30(48)14-13-26(32(33)37)34-44-28-20-23(39)8-15-31(28)51-34)29-7-5-4-6-27(29)45-35(49)43-24-9-11-25(12-10-24)50-38(40,41)42/h4-15,20,48H,16-19,21-22H2,1-3H3,(H2,43,45,49) |
PubChem CID | 136992598 |
ChEMBL | CHEMBL3901297 |
IUPHAR | N/A |
BindingDB | 245384 |
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 | 136.7 nM | , None | BindingDB,ChEMBL |
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