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GPCR

NameAdenosine receptor A1
SpeciesGallus gallus (Chicken)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length324
Amino acid sequenceMAQSVTAFQAAYISIEVLIALVSVPGNILVIWAVKMNQALRDATFCFIVSLAVADVAVGALVIPLAIIINIGPQTEFYSCLMMACPVLILTESSILALLAIAVDRYLRVKIPVRYKSVVTPRRAAVAIACCWIVSFLVGLTPMFGWNNLNKVLGTRDLNVSHSEFVIKCQFETVISMEYMVYFNFFVWVLPPLLLMLLIYLEVFNLIRTQLNKKVSSSSNDPQKYYGKELKIAKSLALVLFLFALSWLPLHILNCITLFCPSCKTPHILTYIAIFLTHGNSAMNPIVYAFRIKKFRTAFLQIWNQYFCCKTNKSSSSSTAETVN
UniProtP49892
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2114
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL274022
Molecular formulaC19H23N5O4
IUPAC name2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol
Molecular weight385.424
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.0
SynonymsR-PIA
S-PIA
(-)-N6-(2-PHENYLISOPROPYL)-ADENOSINE
AC1L1JFU
REGID_for_CID_5022
[ Show all ]
Inchi KeyRIRGCFBBHQEQQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
PubChem CID5022
ChEMBLN/A
IUPHARN/A
BindingDB50006730
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.72 nMPMID11191840BindingDB
Ki1.3 nMPMID3252029BindingDB
Ki1.7 nMPMID3252029BindingDB
Ki25.4 nMPMID3252029BindingDB
Ki38.1 nMPMID3252029BindingDB

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