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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

NameCHEMBL325104
Molecular formulaC18H20N2
IUPAC name1-benzyl-4-(2-ethynylpyrrol-1-yl)piperidine
Molecular weight264.372
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP2.9
Synonyms1-Benzyl-4-(2-ethynyl-pyrrol-1-yl)-piperidine
D07UUQ
BDBM50082164
1-Benzyl-4-(2-ethynyl-1H-pyrrole-1-yl)piperidine
Inchi KeyCNGQSMFIQRDDKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N2/c1-2-17-9-6-12-20(17)18-10-13-19(14-11-18)15-16-7-4-3-5-8-16/h1,3-9,12,18H,10-11,13-15H2
PubChem CID15508240
ChEMBLCHEMBL325104
IUPHARN/A
BindingDB50082164
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki14000.0 nMPMID10560741BindingDB,ChEMBL

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