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GPCR

NameHistamine H1 receptor
SpeciesHomo sapiens (Human)
GeneHRH1
SynonymHH1R
H1R
Hisr
H1 receptor
DiseaseVertigo's disease; Meniere's disease
Ocular allergy
Obesity
Nausea; Vomiting
Insomnia; Anxiety disorder
[ Show all ]
Length487
Amino acid sequenceMSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
UniProtP35367
Protein Data Bank3rze
GPCR-HGmod modelP35367
3D structure modelThis structure is from PDB ID 3rze.
BioLiPBL0202178, BL0202179, BL0202180
Therapeutic Target DatabaseT77913
ChEMBLCHEMBL231
IUPHAR262
DrugBankBE0000442

Ligand

NameCHEMBL3220649
Molecular formulaC16H22N8S
IUPAC name2-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-1-cyano-3-(2-phenylsulfanylethyl)guanidine
Molecular weight358.468
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.2
SynonymsN/A
Inchi KeyASNXLJAURZJRJQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22N8S/c17-12-21-16(20-10-11-25-13-6-2-1-3-7-13)19-9-5-4-8-14-22-15(18)24-23-14/h1-3,6-7H,4-5,8-11H2,(H2,19,20,21)(H3,18,22,23,24)
PubChem CID90667246
ChEMBLCHEMBL3220649
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Intrinsic activity0.01 -MedChemComm, (2014) 5:1:72ChEMBL
pKb>5.0 -MedChemComm, (2014) 5:1:72ChEMBL

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