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GPCR

NameAlpha-1A adrenergic receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneADRA1A
SynonymAlpha-1A adrenoceptor
Alpha-1A adrenoreceptor
Alpha-1C adrenergic receptor
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMVFLSGNASDSSNCTHPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIISLCVISIDRYIGVSYPLRYPTIVTQRRGLRALLCVWAFSLVISVGPLFGWRQPAPDDETICQINEEPGYVLFSALGSFYVPLTIILAMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGVASAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPPETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLKIQCLRRKQSSKHALGYTLHAPSQALEGQHKDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPRGSARITVPKDQSACTTARVRSKSFLQVCCCVGPSTPNPGENHQVPTIKIHTISLSENGEEV
UniProtO02824
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3637
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL89822
Molecular formulaC29H40F3N7O2
IUPAC name3-tert-butyl-N,N,1-trimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyrazolo[3,4-b]pyridine-5-carboxamide
Molecular weight575.681
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.6
SynonymsN/A
Inchi KeyKGQVWTUDJMKFST-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H40F3N7O2/c1-28(2,3)25-23-24(20(27(40)36(4)5)18-34-26(23)37(6)35-25)33-12-9-13-38-14-16-39(17-15-38)21-10-7-8-11-22(21)41-19-29(30,31)32/h7-8,10-11,18H,9,12-17,19H2,1-6H3,(H,33,34)
PubChem CID10555166
ChEMBLCHEMBL89822
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Kd2.512 nMPMID9276013ChEMBL

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