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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesMus musculus (Mouse)
GeneHtr1a
SynonymADRBRL1
5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
5-HT-1A
5-HT1A receptor
Serotonin receptor 1A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length421
Amino acid sequenceMDMFSLGQGNNTTTSLEPFGTGGNDTGLSNVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSNPNECTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKKGAGTSFGTSSAPPPKKSLNGQPGSGDCRRSAENRAVGTPCANGAVRQGEDDATLEVIEVHRVGNSKGHLPLPSESGATSYVPACLERKNERTAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPELLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCR
UniProtQ64264
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3737
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL343838
Molecular formulaC23H26N6OS
IUPAC nameN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide
Molecular weight434.562
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50054716
1H-Indazole-3-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
N-[4-[4-(1,2-Benzisothiazol-3-yl)piperazino]butyl]-1H-indazole-3-carboxamide
Inchi KeyFHVURUHIMBFDDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N6OS/c30-23(21-17-7-1-3-9-19(17)25-26-21)24-11-5-6-12-28-13-15-29(16-14-28)22-18-8-2-4-10-20(18)31-27-22/h1-4,7-10H,5-6,11-16H2,(H,24,30)(H,25,26)
PubChem CID10836602
ChEMBLCHEMBL343838
IUPHARN/A
BindingDB50054716
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.6 nMPMID8941382BindingDB,ChEMBL

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