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GPCR

NameD(1A) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD1
SynonymDopamine-1A receptor
DADR
D1 receptor
dopamine D1 receptor
Gpcr15
[ Show all ]
DiseaseType 2 diabetes
Unspecified
Substance dependence
Schizophrenia
Psychotic disorders
[ Show all ]
Length446
Amino acid sequenceMRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProtP21728
Protein Data BankN/A
GPCR-HGmod modelP21728
3D structure modelThis predicted structure model is from GPCR-EXP P21728.
BioLiPN/A
Therapeutic Target DatabaseT22118
ChEMBLCHEMBL2056
IUPHAR214
DrugBankBE0000020

Ligand

NameCHEMBL3289647
Molecular formulaC19H24FN3S
IUPAC name1-[3-(4-fluorophenyl)sulfanylpropyl]-4-(5-methylpyridin-2-yl)piperazine
Molecular weight345.48
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50017970
Inchi KeyFLNJSRMYQSEHEU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24FN3S/c1-16-3-8-19(21-15-16)23-12-10-22(11-13-23)9-2-14-24-18-6-4-17(20)5-7-18/h3-8,15H,2,9-14H2,1H3
PubChem CID90644062
ChEMBLCHEMBL3289647
IUPHARN/A
BindingDB50017970
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki222.0 nMPMID24800940BindingDB,ChEMBL
Ki223.87 nMPMID24800940ChEMBL

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