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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

NameCHEMBL90878
Molecular formulaC27H31ClF3N5O2
IUPAC name8-chloro-N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide
Molecular weight550.023
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.9
SynonymsN/A
Inchi KeyGCDVKULSRAUNGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31ClF3N5O2/c1-34(2)26(37)20-17-33-25-19(7-5-8-21(25)28)24(20)32-11-6-12-35-13-15-36(16-14-35)22-9-3-4-10-23(22)38-18-27(29,30)31/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,32,33)
PubChem CID10530686
ChEMBLCHEMBL90878
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
Kd0.7943 nMPMID9276013ChEMBL

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