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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

NameCHEMBL603144
Molecular formulaC36H50N6O6
IUPAC name(4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[[6-phenyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carbonyl]amino]pentanoic acid
Molecular weight662.832
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50307747
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridin-2-yl]carbonyl}-amino)pentanoic Acid
Inchi KeyBGFYKMHCOQHUCD-PMERELPUSA-N
Inchi IDInChI=1S/C36H50N6O6/c1-2-3-9-24-48-36(47)42-22-20-41(21-23-42)35(46)30(12-13-33(43)44)38-34(45)32-26-29(25-31(37-32)27-10-5-4-6-11-27)40-18-14-28(15-19-40)39-16-7-8-17-39/h4-6,10-11,25-26,28,30H,2-3,7-9,12-24H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
PubChem CID45141773
ChEMBLCHEMBL603144
IUPHARN/A
BindingDB50307747
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.0 nMPMID20141147BindingDB,ChEMBL

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