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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

NameCHEMBL50188
Molecular formulaC25H36N2O4
IUPAC name8-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight428.573
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.2
SynonymsCHEMBL27650
BDBM50036856
8-[3-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]propylamino]propyl]-8-azaspiro[4.5]decane-7,9-dione
8-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propyl}-8-aza-spiro[4.5]decane-7,9-dione; compound with oxalic acid
Inchi KeyAGKVXTQIBHAKGE-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H36N2O4/c1-3-12-26(19-15-20-21(30-2)8-6-9-22(20)31-18-19)13-7-14-27-23(28)16-25(17-24(27)29)10-4-5-11-25/h6,8-9,19H,3-5,7,10-18H2,1-2H3
PubChem CID10252000
ChEMBLCHEMBL27650
IUPHARN/A
BindingDB50036856
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5020000.0 nMPMID7912735BindingDB

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