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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

NameCHEMBL597980
Molecular formulaC27H35N5O7
IUPAC name(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-[2-hydroxyethyl(methyl)amino]-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
Molecular weight541.605
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP1.0
SynonymsBDBM50307597
(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-[({4-[(2-hydroxyethyl)methyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
Inchi KeyAMFNYBSTPDJKKA-NRFANRHFSA-N
Inchi IDInChI=1S/C27H35N5O7/c1-3-39-27(38)32-13-11-31(12-14-32)26(37)21(9-10-24(34)35)29-25(36)23-18-20(30(2)15-16-33)17-22(28-23)19-7-5-4-6-8-19/h4-8,17-18,21,33H,3,9-16H2,1-2H3,(H,29,36)(H,34,35)/t21-/m0/s1
PubChem CID46233451
ChEMBLCHEMBL597980
IUPHARN/A
BindingDB50307597
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki87.0 nMPMID20141147BindingDB,ChEMBL

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