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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

NameClebopride
Molecular formulaC20H24ClN3O2
IUPAC name4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
Molecular weight373.881
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
Synonyms4-amino-5-chloro-2-(methyloxy)-N-[1-(phenylmethyl)piperidin-4-yl]benzamide
4-Amino-5-chloro-2-methoxy-N-(1-benzyl-4-piperidyl)benzamide
4-Amino-5-chloro-2-methoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide
4-amino-N-(1-benzyl-4-piperidinyl)-5-chloro-2-methoxybenzamide
4-amino-N-(1-benzyl-4-piperidyl)-5-chloro-2-methoxy-benzamide
[ Show all ]
Inchi KeyBVPWJMCABCPUQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
PubChem CID2780
ChEMBLCHEMBL325109
IUPHARN/A
BindingDB50132693
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6000.0 nMPMID12951112BindingDB,ChEMBL

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