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GPCR

Name5-hydroxytryptamine receptor 1B
SpeciesGorilla gorilla gorilla (Western lowland gorilla)
GeneHTR1B
Synonym5-HT-1B
5-HT1B
Serotonin receptor 1B
DiseaseN/A for non-human GPCRs
Length390
Amino acid sequenceMEEPGAQCAPPXPAGSETWVPQANLSSAPSQNCSAKDYIYQDSIALPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProtQ9N2B7
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2304408
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL69385
Molecular formulaC23H29N3O3
IUPAC name1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight395.503
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
Synonyms1-[2-[4-(4-Methoxyphenyl)piperazine-1-yl]ethyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide
BDBM50064785
SCHEMBL7403625
1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
Inchi KeyOCFFXDBBLHVFSW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29N3O3/c1-28-20-5-3-19(4-6-20)26-13-11-25(12-14-26)10-8-22-21-7-2-18(23(24)27)16-17(21)9-15-29-22/h2-7,16,22H,8-15H2,1H3,(H2,24,27)
PubChem CID23288790
ChEMBLCHEMBL69385
IUPHARN/A
BindingDB50064785
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5862.0 nMPMID9632349BindingDB,ChEMBL

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