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GPCR

NameP2Y purinoceptor 4
SpeciesHomo sapiens (Human)
GeneP2RY4
SynonymUNR
pyrimidinoceptor
pyrimidinergic receptor P2Y
P2Y4R
P2Y4 receptor
[ Show all ]
DiseaseN/A
Length365
Amino acid sequenceMASTESSLLRSLGLSPGPGSSEVELDCWFDEDFKFILLPVSYAVVFVLGLGLNAPTLWLFIFRLRPWDATATYMFHLALSDTLYVLSLPTLIYYYAAHNHWPFGTEICKFVRFLFYWNLYCSVLFLTCISVHRYLGICHPLRALRWGRPRLAGLLCLAVWLVVAGCLVPNLFFVTTSNKGTTVLCHDTTRPEEFDHYVHFSSAVMGLLFGVPCLVTLVCYGLMARRLYQPLPGSAQSSSRLRSLRTIAVVLTVFAVCFVPFHITRTIYYLARLLEADCRVLNIVNVVYKVTRPLASANSCLDPVLYLLTGDKYRRQLRQLCGGGKPQPRTAASSLALVSLPEDSSCRWAATPQDSSCSTPRADRL
UniProtP51582
Protein Data BankN/A
GPCR-HGmod modelP51582
3D structure modelThis predicted structure model is from GPCR-EXP P51582.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2123
IUPHAR325
DrugBankN/A

Ligand

NameCHEMBL3261377
Molecular formulaC63H89N12O27P3S2
IUPAC name2-(3-amino-6-imino-4,5-disulfoxanthen-9-yl)-5-[6-[4-[2-[[2-[4-[3-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]oxypropyl]phenoxy]acetyl]amino]ethyl]triazol-1-yl]hexylcarbamoyl]benzoic acid;N,N-diethylethanamine
Molecular weight1603.5
Hydrogen bond acceptor33
Hydrogen bond donor14
XlogPNone
SynonymsN/A
Inchi KeyCYHLQEIGNQACKC-FDZRIHCXSA-N
Inchi IDInChI=1S/C51H59N10O27P3S2.2C6H15N/c52-36-15-13-33-41(34-14-16-37(53)47(93(79,80)81)45(34)86-44(33)46(36)92(76,77)78)32-12-9-29(24-35(32)50(66)67)48(65)55-19-3-1-2-4-21-60-25-30(57-59-60)17-20-54-40(62)27-82-31-10-7-28(8-11-31)6-5-23-83-58-39-18-22-61(51(68)56-39)49-43(64)42(63)38(85-49)26-84-90(72,73)88-91(74,75)87-89(69,70)71;2*1-4-7(5-2)6-3/h7-16,18,22,24-25,38,42-43,49,52,63-64H,1-6,17,19-21,23,26-27,53H2,(H,54,62)(H,55,65)(H,66,67)(H,72,73)(H,74,75)(H,56,58,68)(H2,69,70,71)(H,76,77,78)(H,79,80,81);2*4-6H2,1-3H3/t38-,42-,43-,49-;;/m1../s1
PubChem CID118705724
ChEMBLCHEMBL3261377
IUPHARN/A
BindingDB50013028
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
EC50200.0 nMPMID24712832BindingDB,ChEMBL

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