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GPCR

NameD(1A) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD1
SynonymD1 receptor
D1A
DADR
Gpcr15
dopamine D1 receptor
[ Show all ]
DiseaseUnspecified
Hypertension
Pain
Parkinson's disease
Psychiatric disorder
[ 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

Name3-((2-fluorothiazol-4-yl)ethynyl)-5-fluorobenzonitrile
Molecular formulaC12H4F2N2S
IUPAC name3-fluoro-5-[2-(2-fluoro-1,3-thiazol-4-yl)ethynyl]benzonitrile
Molecular weight246.235
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50336843
SCHEMBL1648504
ZINC66078097
CHEMBL1672288
1262778-42-6
Inchi KeyLVXAMCKZCLWWTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
PubChem CID51050257
ChEMBLCHEMBL1672288
IUPHARN/A
BindingDB50336843
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID21207959BindingDB,ChEMBL

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