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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
SpeciesRattus norvegicus (Rat)
GeneDrd1
SynonymGpcr15
D1 receptor
dopamine D1 receptor
DADR
D1A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length446
Amino acid sequenceMAPNTSTMDEAGLPAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPLGPFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFQYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTWPLDGNFTSLEDTEDDNCDTRLSRTYAISSSLISFYIPVAIMIVTYTSIYRIAQKQIRRISALERAAVHAKNCQTTAGNGNPVECAQSESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFISNCMVPFCGSEETQPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFQKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNLVYLIPHAVGSSEDLKKEEAGGIAKPLEKLSPALSVILDYDTDVSLEKIQPVTHSGQHST
UniProtP18901
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL265
IUPHAR214
DrugBankN/A

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
EC5030.0 nMPMID8568818BindingDB,ChEMBL
IC505.6 nMPMID7914538BindingDB,ChEMBL
IC507.15 nMPMID7830274BindingDB,ChEMBL
IC5011.6 nMPMID7914538ChEMBL
IC5012.0 nMPMID7914538, PMID1971308BindingDB,ChEMBL
IC50149.0 nMPMID7914538ChEMBL
K 0.56.22 nMPMID10072690ChEMBL
K0.52.3 nMPMID8568818ChEMBL
K0.52.4 nMPMID7608904ChEMBL
K0.52.8 nMPMID9216832ChEMBL
K0.54.59 nMPMID8558526ChEMBL
K0.55.0 nMMed Chem Res, (2004) 13:1:105ChEMBL
K0.55.6 nMPMID7914538ChEMBL
K0.56.22 nMPMID7636869ChEMBL
K0.511.6 nMPMID7914538ChEMBL
K0.5149.0 nMPMID7914538ChEMBL
Ki100.0 nMPMID9171869BindingDB,ChEMBL

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