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GPCR

NameP2Y purinoceptor 12
SpeciesHomo sapiens (Human)
GeneP2RY12
SynonymP2Y12 platelet ADP receptor
P2Y12 receptor
P2YADP
purinergic receptor P2Y
P2Y12
[ Show all ]
DiseaseN/A
Length342
Amino acid sequenceMQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
UniProtQ9H244
Protein Data Bank4py0, 4pxz, 4ntj
GPCR-HGmod modelQ9H244
3D structure modelThis structure is from PDB ID 4py0.
BioLiPBL0272414,BL0272415, BL0276068, BL0276067, BL0276066, BL0272413
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2001
IUPHAR328
DrugBankBE0000110

Ligand

NameCHEMBL88218
Molecular formulaC20H24N4O3
IUPAC nameN-cyclohexyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide
Molecular weight368.437
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.6
SynonymsAUZJVEDTLNZEHH-UHFFFAOYSA-N
N-Cyclohexyl-4-[[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]quinolin)-7-yl]oxy]butyramide
BDBM50000920
N-Cyclohexyl-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyramide
SCHEMBL10658515
[ Show all ]
Inchi KeyAUZJVEDTLNZEHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N4O3/c25-18(21-14-5-2-1-3-6-14)7-4-10-27-15-8-9-16-13(11-15)12-17-19(22-16)24-20(26)23-17/h8-9,11-12,14H,1-7,10H2,(H,21,25)(H2,22,23,24,26)
PubChem CID9999105
ChEMBLCHEMBL88218
IUPHARN/A
BindingDB50000920
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC5040.0 nMPMID1321910BindingDB,ChEMBL

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