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GPCR

NameD(1A) dopamine receptor
SpeciesRattus norvegicus (Rat)
GeneDrd1
SynonymD1 receptor
D1A
DADR
dopamine D1 receptor
Dopamine-1A receptor
[ 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

NameUNII-UGT5535REQ
Molecular formulaC17H18ClNO
IUPAC name(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular weight287.787
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.0
Synonyms2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol (R)-
BRD-K45435259-001-01-6
GOTMKOSCLKVOGG-OAHLLOKOSA-N
PDSP2_000612
SCH23390
[ Show all ]
Inchi KeyGOTMKOSCLKVOGG-OAHLLOKOSA-N
Inchi IDInChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
PubChem CID3036864
ChEMBLCHEMBL62
IUPHARN/A
BindingDB82247
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
-Log K0.59.4 -PMID10464009ChEMBL
Change-35.0 %PMID12723940ChEMBL
Change52.0 %PMID12723940ChEMBL
Change62.0 %PMID12723940ChEMBL
IC500.57 nMPMID7830274BindingDB,ChEMBL
IC501.0 nMPMID1971308BindingDB,ChEMBL
IC501.01 nMPMID7914538BindingDB,ChEMBL
IC501.3 nMPMID2405158BindingDB,ChEMBL
IC504.3 nMPMID9804688BindingDB,ChEMBL
K 0.50.4 nMPMID10072690ChEMBL
K0.50.3 nMPMID8558526ChEMBL
K0.50.5 nMPMID8568818, PMID9216832ChEMBL
K0.50.52 nMPMID7636869ChEMBL
Ki0.12 nMPMID10843230ChEMBL
Ki0.12 nMPMID10843230BindingDB
Ki0.14 nMPMID2415793, PMID1397049, PMID3039136, PMID7855175BindingDB,ChEMBL
Ki0.2 nMPMID8584042BindingDB
Ki0.21 nMPMID7473556BindingDB,ChEMBL
Ki0.3 nMPMID6387355, Bioorg. Med. Chem. Lett., (1992) 2:5:399BindingDB,ChEMBL
Ki0.3 nMN/ABindingDB
Ki0.34 nMPMID12023552BindingDB
Ki0.37 nMPMID10327430BindingDB
Ki0.39 nMPMID2525621BindingDB,ChEMBL
Ki0.4 nMPMID2666667, PMID2905002, PMID7996543BindingDB,ChEMBL
Ki0.4 nMPMID7996543BindingDB
Ki0.4266 nMPMID7996543ChEMBL
Ki0.43 nMPMID3050089ChEMBL
Ki0.43 nMPMID3050089BindingDB
Ki0.73 nMPMID8863801BindingDB,ChEMBL
Ki0.7413 nMPMID10691686ChEMBL
Ki0.8 nMPMID7902811BindingDB
Ki0.9 nMPMID1833546ChEMBL
Ki0.9 nMPMID1833546BindingDB
Ki1.4 nMPMID10227113BindingDB
Ki17.0 nMPMID8558526BindingDB
Ki173.0 nMPMID1397049BindingDB
Ki178.0 nMPMID2531826BindingDB
Ki676.0 nMPMID7996543BindingDB,ChEMBL

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