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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

NameCHEMBL561007
Molecular formulaC29H37N5O7
IUPAC name(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-piperidin-4-yloxypyridine-2-carbonyl)amino]pentanoic acid
Molecular weight567.643
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP-0.6
Synonyms(S)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-5-oxo-4-(6-phenyl-4-(piperidin-4-yloxy)picolinamido)pentanoic acid
(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-5-oxo-4-({[6-phenyl-4-(piperidin-4-yloxy)yridin-2-yl]carbonyl}amino)entanoic Acid
BDBM50298138
Inchi KeyBGTOGBOAGNUQCF-QHCPKHFHSA-N
Inchi IDInChI=1S/C29H37N5O7/c1-2-40-29(39)34-16-14-33(15-17-34)28(38)23(8-9-26(35)36)32-27(37)25-19-22(41-21-10-12-30-13-11-21)18-24(31-25)20-6-4-3-5-7-20/h3-7,18-19,21,23,30H,2,8-17H2,1H3,(H,32,37)(H,35,36)/t23-/m0/s1
PubChem CID45269454
ChEMBLCHEMBL561007
IUPHARN/A
BindingDB50298138
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501900.0 nMPMID19604694BindingDB,ChEMBL
Ki68.0 nMPMID20141147, PMID19604694BindingDB,ChEMBL

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