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GPCR

NameAdenosine receptor A1
SpeciesBos taurus (Bovine)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProtP28190
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4975
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL223229
Molecular formulaC22H25ClN4O2
IUPAC namebutyl 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
Molecular weight412.918
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50176827
butyl 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Inchi KeyAVLJGOPRUJRUPH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25ClN4O2/c1-2-3-11-29-22(28)18-12-24-21-17(20(18)26-16-9-10-16)13-25-27(21)14-19(23)15-7-5-4-6-8-15/h4-8,12-13,16,19H,2-3,9-11,14H2,1H3,(H,24,26)
PubChem CID11575180
ChEMBLCHEMBL223229
IUPHARN/A
BindingDB50176827
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki895.0 nMPMID16279775BindingDB,ChEMBL

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