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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 | CHEMBL3745863 |
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Molecular formula | C27H37ClN10Na4O16P4S4 |
IUPAC name | tetrasodium;[[(2R,3S,4R,5R)-5-(6-amino-2-propylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-[[[[(2R,3S,4R,5R)-5-(6-amino-2-propylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-oxidophosphoryl]-chloromethyl]phosphinate |
Molecular weight | 1137.19 |
Hydrogen bond acceptor | 28 |
Hydrogen bond donor | 6 |
XlogP | None |
Synonyms | N/A |
Inchi Key | AUFDVOPFMXHZID-GTPVDDEVSA-J |
Inchi ID | InChI=1S/C27H41ClN10O16P4S4.4Na/c1-3-5-61-26-33-19(29)13-21(35-26)37(9-31-13)23-17(41)15(39)11(51-23)7-49-57(47,59)53-55(43,44)25(28)56(45,46)54-58(48,60)50-8-12-16(40)18(42)24(52-12)38-10-32-14-20(30)34-27(36-22(14)38)62-6-4-2;;;;/h9-12,15-18,23-25,39-42H,3-8H2,1-2H3,(H,43,44)(H,45,46)(H,47,59)(H,48,60)(H2,29,33,35)(H2,30,34,36);;;;/q;4*+1/p-4/t11-,12-,15-,16-,17-,18-,23-,24-,25?,57?,58?;;;;/m1..../s1 |
PubChem CID | 127040665 |
ChEMBL | CHEMBL3745863 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 6300.0 nM | PMID26588064 | ChEMBL |
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