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GPCR

NameHistamine H3 receptor
SpeciesHomo sapiens (Human)
GeneHRH3
SynonymHH3R
H3R
H3 receptor
GPCR97
G-protein coupled receptor 97
DiseaseObese insulin-resistant disorders
Excessive daytime sleepiness
Sleep disorders
Schizophrenia
Pain
[ Show all ]
Length445
Amino acid sequenceMERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
UniProtQ9Y5N1
Protein Data BankN/A
GPCR-HGmod modelQ9Y5N1
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y5N1.
BioLiPN/A
Therapeutic Target DatabaseT64765
ChEMBLCHEMBL264
IUPHAR264
DrugBankBE0000968

Ligand

NameCHEMBL3806146
Molecular formulaC14H20N6
IUPAC name1-cyano-3-cyclopropyl-2-[[(1R,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methyl]guanidine
Molecular weight272.356
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP1.7
SynonymsBDBM50170121
Inchi KeyACIIRLLKFPZHTL-MNOVXSKESA-N
Inchi IDInChI=1S/C14H20N6/c15-8-18-14(20-12-3-4-12)17-6-10-1-2-11(5-10)13-7-16-9-19-13/h7,9-12H,1-6H2,(H,16,19)(H2,17,18,20)/t10-,11+/m1/s1
PubChem CID127052634
ChEMBLCHEMBL3806146
IUPHARN/A
BindingDB50170121
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501530.0 nMPMID27007611BindingDB,ChEMBL
Intrinsic activity0.28 -PMID27007611ChEMBL

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