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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

Name2-Chloroadenosine
Molecular formulaC10H12ClN5O4
IUPAC name(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight301.687
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.1
Synonyms146-77-0
PDSP1_001209
2-chloro-adenosine
SAM001246886
2Cl-Ado
[ Show all ]
Inchi KeyBIXYYZIIJIXVFW-UUOKFMHZSA-N
Inchi IDInChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
PubChem CID8974
ChEMBLCHEMBL285819
IUPHAR372
BindingDB50009525
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC25170.0 nMPMID3336027ChEMBL
IC5037.0 nMPMID1875349ChEMBL
IC5013182.0 nMPMID1875349BindingDB
Ki6.7 nMPMID11170643, PMID1766003, PMID8441759BindingDB,IUPHAR,ChEMBL
Ki8.74 nMPMID2995663BindingDB,ChEMBL
Ki9.3 nMPMID3336027, PMID1738138, PMID7707320, PMID1433217, PMID7932588, PMID2754691BindingDB,ChEMBL
Ki9.3 nMPMID3336027BindingDB
Ki9.33 nMPMID3010074BindingDB

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