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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

NameCHEMBL387319
Molecular formulaC18H23N7O2
IUPAC name[(6R,9aS)-2-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]methanol
Molecular weight369.429
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.1
Synonyms(6RS,9aRS)-[2-(5-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-octahydropyrido[1,2-a]pyrazin-6-yl]-methanol
BDBM50156601
Inchi KeyAJJBVAFBIRUTBT-QWHCGFSZSA-N
Inchi IDInChI=1S/C18H23N7O2/c19-15-9-16(20-18-21-17(22-25(15)18)14-5-2-8-27-14)23-6-7-24-12(10-23)3-1-4-13(24)11-26/h2,5,8-9,12-13,26H,1,3-4,6-7,10-11,19H2/t12-,13+/m0/s1
PubChem CID11383086
ChEMBLCHEMBL387319
IUPHARN/A
BindingDB50156601
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki<500.0 nMPMID15566292BindingDB,ChEMBL

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