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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

NameArotinolol
Molecular formulaC15H21N3O2S3
IUPAC name5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
Molecular weight371.532
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.3
Synonyms68377-92-4
5-(2-((3-(tert-Butylamino)-2-hydroxypropyl)thio)thiazol-4-yl)thiophene-2-carboxamide
Arotinolol [INN]
Arotinololum [Latin]
C15H21N3O2S3
[ Show all ]
Inchi KeyBHIAIPWSVYSKJS-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
PubChem CID2239
ChEMBLN/A
IUPHARN/A
BindingDB81885
DrugBankDB09204

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10.72 nMPMID1968985BindingDB

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