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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

NameCHEMBL196744
Molecular formulaC21H24Cl2FN3O
IUPAC nameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-fluorobenzamide
Molecular weight424.341
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
SynonymsN-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-fluorobenzamide
Benzamide, N-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butyl]-4-fluoro-
CTK3E3337
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butyl}-4-fluoro-benzamide
819883-91-5
[ Show all ]
Inchi KeyAGUZAIMBKPZTGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24Cl2FN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h3-9H,1-2,10-15H2,(H,25,28)
PubChem CID44403213
ChEMBLCHEMBL196744
IUPHARN/A
BindingDB50172859
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki60.0 nMPMID16139501BindingDB,ChEMBL

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