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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

NameCHEMBL607951
Molecular formulaC16H16IN5O4
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(3-iodoanilino)purin-9-yl]oxolane-3,4-diol
Molecular weight469.239
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.8
SynonymsBDBM50367495
Inchi KeyALPVYHVPUBJWEV-AARXTDBFSA-N
Inchi IDInChI=1S/C16H16IN5O4/c17-8-2-1-3-9(4-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
PubChem CID46877057
ChEMBLCHEMBL607951
IUPHARN/A
BindingDB50367495
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5019.0 nMPMID3572985BindingDB,ChEMBL

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