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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

NameCHEMBL2374412
Molecular formulaC19H24N6O4
IUPAC name(2R,3R,4S,5R)-2-[6-amino-2-[[(2S)-2-phenylpropyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight400.439
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.6
Synonyms2-[(S)-2-Phenylpropylamino]adenosine
BDBM50009548
SCHEMBL9763034
2-[6-Amino-2-(4-phenyl-butylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Inchi KeyAICJVUAYBZJGAJ-DPHITLOKSA-N
Inchi IDInChI=1S/C19H24N6O4/c1-10(11-5-3-2-4-6-11)7-21-19-23-16(20)13-17(24-19)25(9-22-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H3,20,21,23,24)/t10-,12-,14-,15-,18-/m1/s1
PubChem CID15036661
ChEMBLCHEMBL2374412
IUPHARN/A
BindingDB50009548
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501660.0 nMPMID1875349ChEMBL
IC506918.0 nMPMID1875349BindingDB

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