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GPCR

NameAdenosine receptor A3
SpeciesBos taurus (Bovine)
GeneADORA3
SynonymN/A
DiseaseN/A for non-human GPCRs
Length317
Amino acid sequenceMPVNSTAVSLASVTYISVEILIGLCAIVGNVLVIWVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVISLGVTIHFYSCLLMTCLLMIFTHASIMSLLAIAVDRYLRVKLTVRYRRVTTQRRIWLALGLCWLVSFLVGLTPMFGWNMKLSSADKNLTFLPCQFRSVMRMDYMVYFSFFTWILIPLVVMCAIYFDIFYVIRNRLSQNFSGSKETGAFYGREFKTAKSLSLVLFLFALSWLPLSIINCIIYFNGEVPQIVLYLGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVICQPSKSMDPSIEQTSE
UniProtQ0VC81
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1287626
IUPHARN/A
DrugBankN/A

Ligand

Name316173-57-6
Molecular formulaC20H19N7O2
IUPAC name4-(furan-2-yl)-10-[3-(4-methoxyphenyl)propyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
Molecular weight389.419
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.7
SynonymsSCH 442416
SCH-442416
UNII-ZMC4G1W59S
2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SCH442416
[ Show all ]
Inchi KeyAEULVFLPCJOBCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
PubChem CID10668061
ChEMBLCHEMBL136689
IUPHAR3283
BindingDB50094037
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID20937560BindingDB,ChEMBL

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