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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

NameCHEMBL141319
Molecular formulaC23H26N6OS
IUPAC nameN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-benzimidazole-4-carboxamide
Molecular weight434.562
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
Synonyms3H-Benzoimidazole-4-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
BDBM50054712
N-[4-[4-(1,2-Benzisothiazol-3-yl)piperazino]butyl]-1H-benzimidazole-4-carboxamide
Inchi KeyVFYDENPYYCCZII-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N6OS/c30-23(18-7-5-8-19-21(18)26-16-25-19)24-10-3-4-11-28-12-14-29(15-13-28)22-17-6-1-2-9-20(17)31-27-22/h1-2,5-9,16H,3-4,10-15H2,(H,24,30)(H,25,26)
PubChem CID10646494
ChEMBLCHEMBL141319
IUPHARN/A
BindingDB50054712
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504.2 nMPMID8941382BindingDB,ChEMBL

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