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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

NameCHEMBL163281
Molecular formulaC16H23NO2
IUPAC name(4aS,10bR)-10-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
Molecular weight261.365
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.2
SynonymsSCHEMBL6771804
BDBM50016890
1,3,4,4abeta,5,10balpha-Hexahydro-4-propyl-10-methoxy-2H-[1]benzopyrano[3,4-b]pyridine
5-Methoxy-1-propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthrene
Inchi KeyAIMYJNFPNLKTCY-QWHCGFSZSA-N
Inchi IDInChI=1S/C16H23NO2/c1-3-9-17-10-5-6-12-13(17)11-19-15-8-4-7-14(18-2)16(12)15/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3/t12-,13+/m0/s1
PubChem CID14151613
ChEMBLCHEMBL163281
IUPHARN/A
BindingDB50016890
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Change-19.0 %PMID2537429ChEMBL

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