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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

NameCHEMBL2172132
Molecular formulaC32H43N7O8
IUPAC nameethyl 4-[(2S)-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-4-hydroxybutanoyl]piperazine-1-carboxylate
Molecular weight653.737
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP1.4
SynonymsARBAHZWLLWIEGT-AHWVRZQESA-N
4-[(S)-2-({5-[2-((S)-2-Cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-4-hydroxy-butyryl]-piperazine-1-carboxylic acid ethyl ester
BDBM50397153
SCHEMBL953023
Inchi KeyARBAHZWLLWIEGT-AHWVRZQESA-N
Inchi IDInChI=1S/C32H43N7O8/c1-2-46-32(45)37-17-15-36(16-18-37)31(44)24(13-19-40)34-29(42)25-20-28(39(35-25)23-10-4-3-5-11-23)47-21-27(41)38-14-7-12-26(38)30(43)33-22-8-6-9-22/h3-5,10-11,20,22,24,26,40H,2,6-9,12-19,21H2,1H3,(H,33,43)(H,34,42)/t24-,26-/m0/s1
PubChem CID44129058
ChEMBLCHEMBL2172132
IUPHARN/A
BindingDB50397153
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki23.0 nMPMID22984835BindingDB,ChEMBL

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