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GPCR

NameD(1A) dopamine receptor
SpeciesBos taurus (Bovine)
GeneDRD1
SynonymDopamine D1 receptor
DiseaseN/A for non-human GPCRs
Length446
Amino acid sequenceMRTLNTSTMEGTGLVAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTGPSEGNATSLGKTINNCDSSLSRTYAISSSLISFYIPVAIMIVTYTRIYRIAQKQIRRISALERAAVHAKNCQTTTGNGNPMECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCGSGETKPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNVVYLIPHAVGSSEGLKKEEAVGIAKPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProtQ95136
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2967
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL326454
Molecular formulaC21H26ClN3O2
IUPAC nameN-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
Molecular weight387.908
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50132696
N-((3R,4R)-1-Benzyl-4-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide
N-[(3R)-1-Benzyl-4alpha-methyl-3alpha-pyrrolidinyl]-2-methoxy-4-(methylamino)-5-chlorobenzamide
Inchi KeyDCJWAUUNGWWIFD-KUHUBIRLSA-N
Inchi IDInChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1
PubChem CID9977532
ChEMBLCHEMBL326454
IUPHARN/A
BindingDB50132696
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4100.0 nMPMID12951112BindingDB,ChEMBL
Ki4700.0 nMPMID12951112BindingDB,ChEMBL

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