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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

NameCHEMBL1928248
Molecular formulaC54H76N6O9
IUPAC nameN-[4-[4-[4-[2-[2-[2-[2-[[4-[4-(4-benzamidobutyl)piperazin-1-yl]-3-methoxyphenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide
Molecular weight953.235
Hydrogen bond acceptor13
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50359759
Inchi KeyBGMQCQHMPBHOMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C54H76N6O9/c1-63-51-41-45(17-19-49(51)59-29-25-57(26-30-59)23-11-9-21-55-53(61)47-13-5-3-6-14-47)43-68-39-37-66-35-33-65-34-36-67-38-40-69-44-46-18-20-50(52(42-46)64-2)60-31-27-58(28-32-60)24-12-10-22-56-54(62)48-15-7-4-8-16-48/h3-8,13-20,41-42H,9-12,21-40,43-44H2,1-2H3,(H,55,61)(H,56,62)
PubChem CID57393634
ChEMBLCHEMBL1928248
IUPHARN/A
BindingDB50359759
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki2900.0 nMPMID22100258BindingDB,ChEMBL

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