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GPCR

Name5-hydroxytryptamine receptor 1B
SpeciesHomo sapiens (Human)
GeneHTR1B
Synonym5-HT1B receptor
5-HT-1B
5-HT-1D-beta
5-HT1B
Serotonin 1D beta receptor
[ Show all ]
DiseaseChronic schizophrenics
Major depressive disorder
Migraine headaches
Mood disorder
Psychotic disorders
[ Show all ]
Length390
Amino acid sequenceMEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProtP28222
Protein Data Bank4iar, 6g79, 5v54
GPCR-HGmod modelP28222
3D structure modelThis structure is from PDB ID 4iar.
BioLiPBL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target DatabaseT07806
ChEMBLCHEMBL1898
IUPHAR2
DrugBankBE0000797

Ligand

NameCHEMBL356315
Molecular formulaC27H34N6O
IUPAC name(1R,2S)-1-phenyl-1-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-2-ol
Molecular weight458.61
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.3
SynonymsSCHEMBL4580516
BDBM50083092
(1R,2S)-1-[[1-[3-[5-(4H-1,2,4-Triazole-4-yl)-1H-indole-3-yl]propyl]piperidine-4-yl]amino]-1-phenyl-2-propanol
(1R,2S)-1-Phenyl-1-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-propan-2-ol
Inchi KeyAMZZHMUOOCFWEG-DCFHFQCYSA-N
Inchi IDInChI=1S/C27H34N6O/c1-20(34)27(21-6-3-2-4-7-21)31-23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-18-29-30-19-33/h2-4,6-7,9-10,16-20,23,27-28,31,34H,5,8,11-15H2,1H3/t20-,27-/m0/s1
PubChem CID10813769
ChEMBLCHEMBL356315
IUPHARN/A
BindingDB50083092
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50150.0 nMPMID10585208BindingDB,ChEMBL

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