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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

NameCHEMBL570423
Molecular formulaC28H37N5O7S
IUPAC name(4S)-4-[[6-(2-hydroxyethylsulfanyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight587.692
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP2.5
Synonyms(S)-4-(6-(2-hydroxyethylthio)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
BDBM50302682
Inchi KeyBHRRQKCXMMILKK-NRFANRHFSA-N
Inchi IDInChI=1S/C28H37N5O7S/c1-2-3-7-17-40-28(39)33-14-12-32(13-15-33)27(38)21(10-11-24(35)36)30-26(37)22-19-23(41-18-16-34)31-25(29-22)20-8-5-4-6-9-20/h4-6,8-9,19,21,34H,2-3,7,10-18H2,1H3,(H,30,37)(H,35,36)/t21-/m0/s1
PubChem CID45485880
ChEMBLCHEMBL570423
IUPHARN/A
BindingDB50302682
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID19796941BindingDB,ChEMBL
Ki4.5 nMPMID19796941BindingDB,ChEMBL

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