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GPCR

Name5-hydroxytryptamine receptor 1B
SpeciesRattus norvegicus (Rat)
GeneHtr1b
SynonymHTR1D2
5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled
5-HT1Dbeta
5-HT1DB
5-HT1B serotonin receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length386
Amino acid sequenceMEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProtP28564
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3459
IUPHAR2
DrugBankN/A

Ligand

NameCHEMBL3799529
Molecular formulaC22H25F3N4O2S
IUPAC name1-(2-methylpropylsulfonyl)-6-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
Molecular weight466.523
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50166863
Inchi KeyCRZWHAXESOORIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25F3N4O2S/c1-15(2)14-32(30,31)29-10-7-18-19(16-3-5-17(6-4-16)22(23,24)25)13-20(27-21(18)29)28-11-8-26-9-12-28/h3-7,10,13,15,26H,8-9,11-12,14H2,1-2H3
PubChem CID127047680
ChEMBLCHEMBL3799529
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
Inhibition72.0 %PMID27117428ChEMBL

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