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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

NameCHEMBL142211
Molecular formulaC21H26N6OS
IUPAC name3-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-2-carboxamide
Molecular weight410.54
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.4
SynonymsSCHEMBL9209048
BDBM50054714
L011303
N-[4-[4-(1,2-Benzisothiazol-3-yl)piperazino]butyl]-3-aminopyridine-2-carboxamide
3-Amino-pyridine-2-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
Inchi KeyHRDPYIFRAIOXAE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N6OS/c22-17-7-5-10-23-19(17)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15,22H2,(H,24,28)
PubChem CID9844458
ChEMBLCHEMBL142211
IUPHARN/A
BindingDB50054714
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.8 nMPMID8941382BindingDB,ChEMBL

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