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GPCR

Name5-hydroxytryptamine receptor 1D
SpeciesCavia porcellus (Guinea pig)
GeneHTR1D
Synonym5-HT-1D
5-HT1D
Serotonin receptor 1D
DiseaseN/A for non-human GPCRs
Length376
Amino acid sequenceMSPPNQSEEGLPQEASNRSLNATETPGDWDPGLLQALKVSLVVVLSIITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAGAMIAAVWVISICISIPPLFWRQAQAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYSRIYRAARSRILNPPSLSGKRFTTAHLITGSAGSSLCSLNPSLHEGHMHPGSPLFFNHVRIKLADSVLERKRISAARERKATKTLGIILGAFIVCWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEDFRQAFQKVVHFRKAS
UniProtQ60484
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2304407
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL70355
Molecular formulaC27H32N2O3
IUPAC name3-[3-(dimethylamino)propyl]-N-[4-[4-(hydroxymethyl)-2-methylphenyl]phenyl]-4-methoxybenzamide
Molecular weight432.564
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
SynonymsVNMPDHQLXRNAMA-UHFFFAOYSA-N
3-(Dimethylaminopropyl]-N-[4'-(1-hydroxymethyl)-2'-methyl[1,1'-biphenyl]-4-yl]-4-methoxybenzamide
3-[3-(Dimethylamino)propyl]-4-methoxy-N-[2'-methyl-4'-(hydroxymethyl)-1,1'-biphenyl-4-yl]benzamide
SCHEMBL6497266
Inchi KeyVNMPDHQLXRNAMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N2O3/c1-19-16-20(18-30)7-13-25(19)21-8-11-24(12-9-21)28-27(31)23-10-14-26(32-4)22(17-23)6-5-15-29(2)3/h7-14,16-17,30H,5-6,15,18H2,1-4H3,(H,28,31)
PubChem CID10002935
ChEMBLCHEMBL70355
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED5045.0 mg.kg-1PMID8057272ChEMBL
Inhibition52.0 %PMID8057272ChEMBL

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