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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 CASP14

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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

NameDIHYDREXIDINE
Molecular formulaC17H17NO2
IUPAC name(6aR,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
Molecular weight267.328
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.5
Synonyms(+)-Dihydrexidine
UNII-Q3PJ4B4D0X
Q3PJ4B4D0X
CHEMBL25856
Dihydrexidine hydrochloride
[ Show all ]
Inchi KeyBGOQGUHWXBGXJW-RHSMWYFYSA-N
Inchi IDInChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
PubChem CID6603820
ChEMBLCHEMBL25856
IUPHARN/A
BindingDB50010686
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC507.2 nMPMID21862338BindingDB,ChEMBL
EC5014.0 nMPMID10360732, PMID7658429BindingDB,ChEMBL
EC5019.0 nMPMID17154515BindingDB,ChEMBL
IA121.0 %PMID7658429ChEMBL
Intrinsic activity103.0 %PMID21862338ChEMBL
Intrinsic activity110.0 nMPMID17154515ChEMBL
Intrinsic activity121.0 %PMID10360732ChEMBL
Ki6.2 nMPMID22204903BindingDB,ChEMBL
Ki33.0 nMPMID7658429, PMID10360732BindingDB,ChEMBL
Ki35.7 nMPMID19744859BindingDB,ChEMBL
Ki1200.0 nMPMID9784114BindingDB,ChEMBL
KL1200.0 nMPMID8632409ChEMBL
Log 1/KL-3.08 -PMID8632409ChEMBL
nH0.65 -PMID8558526ChEMBL

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