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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

NameMLS000086795
Molecular formulaC24H28ClN5O4
IUPAC nameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
Molecular weight485.969
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.0
SynonymsCHEMBL1417144
MolPort-007-594-512
ZINC4005055
F6548-1185
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methoxyethyl)-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxamide
[ Show all ]
Inchi KeyACVZMBHNSYAYKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28ClN5O4/c1-34-14-13-30-23(32)20-6-5-17(15-21(20)27-24(30)33)22(31)26-7-8-28-9-11-29(12-10-28)19-4-2-3-18(25)16-19/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,27,33)
PubChem CID3235755
ChEMBLN/A
IUPHARN/A
BindingDB30840
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5099000.0 nMN/ABindingDB

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