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GPCR

NameAlpha-1D adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA1D
Synonymalpha1a/d-adrenoceptor
adrenergic receptor delta1
Gpcr8
Adrd1
ADRA1R
[ Show all ]
DiseaseUrinary incontinence
Benign prostatic hyperplasia
Congestive heart failure
Diabetes
Erectile dysfunction
[ Show all ]
Length572
Amino acid sequenceMTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVPPDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKASEVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEMQAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVEAVSLGVPHEVAEGATCQAYELADYSNLRETDI
UniProtP25100
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT53381
ChEMBLCHEMBL223
IUPHAR24
DrugBankBE0004863, BE0000715

Ligand

NameCHEMBL145587
Molecular formulaC30H38F2N4O3
IUPAC namemethyl 4-(3,4-difluorophenyl)-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-2,6-dimethyl-4H-pyrimidine-5-carboxylate
Molecular weight540.656
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.3
Synonyms6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxy-phenyl)-piperazin-1-yl]-pentyl}-2,4-dimethyl-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester
1-[5-[4-(2-Methoxyphenyl)-1-piperazinyl]pentyl]-2,4-dimethyl-6-(3,4-difluorophenyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
BDBM50082873
Inchi KeyAOIKUDXNCODUKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H38F2N4O3/c1-21-28(30(37)39-4)29(23-12-13-24(31)25(32)20-23)36(22(2)33-21)15-9-5-8-14-34-16-18-35(19-17-34)26-10-6-7-11-27(26)38-3/h6-7,10-13,20,29H,5,8-9,14-19H2,1-4H3
PubChem CID10650129
ChEMBLCHEMBL145587
IUPHARN/A
BindingDB50082873
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki65.0 nMPMID10579843BindingDB,ChEMBL

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