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GPCR

Name5-hydroxytryptamine receptor 1B
SpeciesGorilla gorilla gorilla (Western lowland gorilla)
GeneHTR1B
Synonym5-HT-1B
5-HT1B
Serotonin receptor 1B
DiseaseN/A for non-human GPCRs
Length390
Amino acid sequenceMEEPGAQCAPPXPAGSETWVPQANLSSAPSQNCSAKDYIYQDSIALPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProtQ9N2B7
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2304408
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL71798
Molecular formulaC24H31N3O3
IUPAC name(1R)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight409.53
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsCTK8E8480
187665-60-7
PNU 109291
DTXSID00442608
RT-015079
[ Show all ]
Inchi KeyUDLSEQDYARNKTL-HSZRJFAPSA-N
Inchi IDInChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m1/s1
PubChem CID10621491
ChEMBLCHEMBL71798
IUPHARN/A
BindingDB50064787
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki150300.0 nMPMID9632349BindingDB,ChEMBL

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