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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

NameCHEMBL109472
Molecular formulaC31H28N2O2
IUPAC nameN-[(3R)-1-benzylpyrrolidin-3-yl]-1-methoxy-4-(2-phenylethynyl)naphthalene-2-carboxamide
Molecular weight460.577
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50132697
N-[(3R)-1-Benzyl-3alpha-pyrrolidinyl]-1-methoxy-4-(phenylethynyl)naphthalene-2-carboxamide
1-Methoxy-4-phenylethynyl-naphthalene-2-carboxylic acid ((R)-1-benzyl-pyrrolidin-3-yl)-amide
Inchi KeyDAUORZLLBDGUDH-AREMUKBSSA-N
Inchi IDInChI=1S/C31H28N2O2/c1-35-30-28-15-9-8-14-27(28)25(17-16-23-10-4-2-5-11-23)20-29(30)31(34)32-26-18-19-33(22-26)21-24-12-6-3-7-13-24/h2-15,20,26H,18-19,21-22H2,1H3,(H,32,34)/t26-/m1/s1
PubChem CID44340415
ChEMBLCHEMBL109472
IUPHARN/A
BindingDB50132697
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2800.0 nMPMID12951112BindingDB,ChEMBL
Ki3300.0 nMPMID12951112BindingDB,ChEMBL

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