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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

NameCHEMBL107637
Molecular formulaC17H14N4
IUPAC name2-(2-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine
Molecular weight274.327
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
Synonyms2-(2-Methylphenyl)-2H-pyrazolo[3,4-c]quinoline-4-amine
BDBM50091111
2-o-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine
Inchi KeyAHOSTJOZMPTPLO-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H14N4/c1-11-6-2-5-9-15(11)21-10-13-12-7-3-4-8-14(12)19-17(18)16(13)20-21/h2-10H,1H3,(H2,18,19)
PubChem CID10492556
ChEMBLCHEMBL107637
IUPHARN/A
BindingDB50091111
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki520.0 nMPMID10956220BindingDB,ChEMBL

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