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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

NameCHEMBL552972
Molecular formulaC32H43N5O7
IUPAC name(4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[(6-phenyl-4-piperidin-4-yloxypyridine-2-carbonyl)amino]pentanoic acid
Molecular weight609.724
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP0.8
Synonyms(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(piperidin-4-yloxy)picolinamido)pentanoic acid
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-(piperidin-4-yloxy)yridin-2-yl]carbonyl}amino)entanoicAcid
BDBM50298134
Inchi KeyBKMXMTVDPMXZJQ-SANMLTNESA-N
Inchi IDInChI=1S/C32H43N5O7/c1-2-3-7-20-43-32(42)37-18-16-36(17-19-37)31(41)26(10-11-29(38)39)35-30(40)28-22-25(44-24-12-14-33-15-13-24)21-27(34-28)23-8-5-4-6-9-23/h4-6,8-9,21-22,24,26,33H,2-3,7,10-20H2,1H3,(H,35,40)(H,38,39)/t26-/m0/s1
PubChem CID45272869
ChEMBLCHEMBL552972
IUPHARN/A
BindingDB50298134
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50550.0 nMPMID19604694BindingDB,ChEMBL
Ki3.5 nMPMID20141147BindingDB,ChEMBL
Ki3.8 nMPMID19604694BindingDB,ChEMBL

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