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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesHomo sapiens (Human)
GeneHTR1A
Synonym5-HT-1A
5-HT1A
serotonin receptor 1A
5-HT1A receptor
5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
[ Show all ]
DiseaseUrinary incontinence
Generalized anxiety disorder
Generalized anxiety disorder; Social phobia
Hypertension
Hypoactive sexual desire disorder
[ 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

NameCHEMBL54265
Molecular formulaC14H17N5
IUPAC nameN,N-dimethyl-2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
Molecular weight255.325
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.3
SynonymsSCHEMBL8783731
BDBM50407356
N,N-Dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-indole-3-(ethanamine)
Inchi KeyGKKAQRFMUGUZQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3
PubChem CID10106412
ChEMBLCHEMBL54265
IUPHARN/A
BindingDB50407356
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5025.0 -Bioorg. Med. Chem. Lett., (1996) 6:15:1825ChEMBL
IC5025.0 nMN/ABindingDB
IC5025.12 nMPMID7752204BindingDB,ChEMBL

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