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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameAlpha-1A adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA1A
Synonymalpha1a
ADRA1C
ADRA1L1
adrenergic alpha 1c receptor
adrenergic receptor alpha 1c
[ Show all ]
DiseaseUrinary incontinence
Benign prostatic hyperplasia
Cognitive disorders
Female sexual dysfunction
Glaucoma
[ Show all ]
Length466
Amino acid sequenceMVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProtP35348
Protein Data BankN/A
GPCR-HGmod modelP35348
3D structure modelThis predicted structure model is from GPCR-EXP P35348.
BioLiPN/A
Therapeutic Target DatabaseT92609
ChEMBLCHEMBL229
IUPHAR22
DrugBankBE0000501

Ligand

NameCHEBI:48565
Molecular formulaC21H26N2O3
IUPAC namemethyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight354.45
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsNSC407306
Methyl 17-hydroxyyohimban-16-carboxylate
methyl 17-hydroxy-20xi-yohimban-16-carboxylate
Corynanthin
Amsonin
[ Show all ]
Inchi KeyBLGXFZZNTVWLAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3
PubChem CID2866
ChEMBLN/A
IUPHARN/A
BindingDB86230
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki199.52 nMPMID10611634PDSP
Ki3162.28 nMPMID12065700PDSP

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