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GPCR

Name5-hydroxytryptamine receptor 1B
SpeciesRattus norvegicus (Rat)
GeneHtr1b
Synonym5-HT1B
Serotonin receptor 1B
5-HT-1B
5-HT1B receptor
5-HT1DB
[ 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

NameCHEMBL306384
Molecular formulaC29H31N5O3
IUPAC name4-methoxy-N-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-3-(4-methylpiperazin-1-yl)benzamide
Molecular weight497.599
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsN/A
Inchi KeyBRWASLBCBODGKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31N5O3/c1-19-17-22(28-30-20(2)37-32-28)7-11-25(19)21-5-9-24(10-6-21)31-29(35)23-8-12-27(36-4)26(18-23)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
PubChem CID10481003
ChEMBLCHEMBL306384
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
Ki6.31 nMPMID8057272ChEMBL

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