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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesHomo sapiens (Human)
GeneHTR1A
Synonym5-HT1A receptor
ADRB2RL1
ADRBRL1
serotonin receptor 1A
5-HT1A
[ Show all ]
DiseaseMajor depressive disorder; Episode; Anxiety
Migraine
Mood disorder
Pain
Parkinson's disease
[ Show all ]
Length422
Amino acid sequenceMDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProtP08908
Protein Data BankN/A
GPCR-HGmod modelP08908
3D structure modelThis predicted structure model is from GPCR-EXP P08908.
BioLiPN/A
Therapeutic Target DatabaseT78709
ChEMBLCHEMBL214
IUPHAR1
DrugBankBE0000291

Ligand

NameCHEMBL116448
Molecular formulaC18H27BrN2O2S
IUPAC name1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
Molecular weight415.39
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL4298542
BDBM85610
(2R)-1-(3-Bromophenylsulfonyl)-2-[2-(4-methylpiperidino)ethyl]pyrrolidine
(R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine
Inchi KeyJBIWUVRCMUOUNK-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
PubChem CID10573876
ChEMBLCHEMBL116448
IUPHARN/A
BindingDB85610
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki398.11 nMPMID10669560BindingDB,ChEMBL

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