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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

NameUNII-F52O5YF6CA
Molecular formulaC24H25F4NOS
IUPAC name2-[1-[3-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperidin-4-yl]ethanol
Molecular weight451.524
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.9
SynonymsSCHEMBL11160514
6-fluoro-9-[3-(4-(2-hydroxyethyl)-piperidino)propylidene]-2-trifluoromethyl-thioxanthene
CTK8A3911
2-(1-{3-[6-fluoro-2-(trifluoromethyl)-9h-thioxanthen-9-ylidene]propyl}piperidin-4-yl)ethanol
F52O5YF6CA
[ Show all ]
Inchi KeyCCUOZZURYIZOKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2
PubChem CID68714
ChEMBLN/A
IUPHARN/A
BindingDB81490
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki0.65 nMPMID1831904BindingDB

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