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GPCR

NameD(1A) dopamine receptor
SpeciesSus scrofa (Pig)
GeneDRD1
SynonymDopamine D1 receptor
DiseaseN/A for non-human GPCRs
Length446
Amino acid sequenceMRTLNTSTMDGTGLVVERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNVTSLGKTTHNCDSSLSRTYAISSSLISFYIPVAIMIVTYTRIYRIAQKQIRRISALERAAVHAKNCQTTAGNGNPAECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCGSGETKPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPTSTNAIETVSINNNGAVVFSSHHEPRGSISKDCNLVYLIPHAVGSSEDLKKEEAGGIASPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProtP50130
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5067
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL391256
Molecular formulaC24H29N3O2
IUPAC name3-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Molecular weight391.515
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50221672
N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-3-ethynylbenzamide
Inchi KeyCQBTYAKAEVDTHI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N3O2/c1-3-20-9-8-10-21(19-20)24(28)25-13-6-7-14-26-15-17-27(18-16-26)22-11-4-5-12-23(22)29-2/h1,4-5,8-12,19H,6-7,13-18H2,2H3,(H,25,28)
PubChem CID44436602
ChEMBLCHEMBL391256
IUPHARN/A
BindingDB50221672
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity6.0 %PMID17827018ChEMBL
Ki1500.0 nMPMID17827018BindingDB,ChEMBL

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