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GPCR

NameAdenosine receptor A1
SpeciesMus musculus (Mouse)
GeneAdora1
SynonymA1 receptor
A1-AR
A1R
adenosine receptor A1
RDC7
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSEVEQAWIANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIEEDIPEEKADD
UniProtQ60612
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3688
IUPHAR18
DrugBankN/A

Ligand

NameCHEMBL257573
Molecular formulaC30H35ClN8O5
IUPAC name(1S,2R,3S,4R,5S)-4-[6-[[3-[6-(2-acetamidoethylamino)-6-oxohex-1-ynyl]phenyl]methylamino]-2-chloropurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight623.111
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP1.0
SynonymsBDBM50377681
Inchi KeyWKBUSKLONVNTOQ-PXZSTNMRSA-N
Inchi IDInChI=1S/C30H35ClN8O5/c1-17(40)33-11-12-34-21(41)10-5-3-4-7-18-8-6-9-19(13-18)15-35-26-22-27(38-29(31)37-26)39(16-36-22)23-20-14-30(20,28(44)32-2)25(43)24(23)42/h6,8-9,13,16,20,23-25,42-43H,3,5,10-12,14-15H2,1-2H3,(H,32,44)(H,33,40)(H,34,41)(H,35,37,38)/t20-,23-,24+,25+,30+/m1/s1
PubChem CID44448952
ChEMBLCHEMBL257573
IUPHARN/A
BindingDB50377681
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki45.0 nMPMID18424135BindingDB
Ki45.4 nMPMID18424135ChEMBL

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