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GPCR

NameAdenosine receptor A1
SpeciesRattus norvegicus (Rat)
GeneAdora1
SynonymA1 receptor
A1-AR
A1R
adenosine receptor A1
RDC7
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProtP25099
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL318
IUPHAR18
DrugBankN/A

Ligand

NameMRS-1042
Molecular formulaC24H28O5
IUPAC name2-phenyl-3,5,7-tripropoxychromen-4-one
Molecular weight396.483
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.0
SynonymsBDBM50051337
2-phenyl-3,5,7-tripropoxychromen-4-one
D0XC9U
45382-EP2311806A2
MRS1042
[ Show all ]
Inchi KeyABZJCSJCNNCZRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28O5/c1-4-12-26-18-15-19(27-13-5-2)21-20(16-18)29-23(17-10-8-7-9-11-17)24(22(21)25)28-14-6-3/h7-11,15-16H,4-6,12-14H2,1-3H3
PubChem CID10500941
ChEMBLCHEMBL76273
IUPHAR393
BindingDB50051337
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID8691424IUPHAR
Ki1096.0 nMPMID9438021BindingDB
Ki1100.0 nMPMID8691424BindingDB,ChEMBL
pKi(uM)-0.04 -PMID9438021ChEMBL

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