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GPCR

NameHistamine H3 receptor
SpeciesCavia porcellus (Guinea pig)
GeneHRH3
SynonymH3R
HH3R
DiseaseN/A for non-human GPCRs
Length445
Amino acid sequenceMERAPPDGLMNASGALAGEAAAAAGGARTFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGVFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMVLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGAREAGPDPLPEAQSSPPQPPPGCWGCWPKGQGESMPLHRYGVGEAGPGAEAGEAALGGGSGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHSSLEHCWK
UniProtQ9JI35
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5076
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL99518
Molecular formulaC15H24N6
IUPAC name1-cyano-2-(cyclohexylmethyl)-3-[3-(1H-imidazol-5-yl)propyl]guanidine
Molecular weight288.399
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.4
SynonymsBENZNUIXJBFMGY-UHFFFAOYSA-N
N''''-cyano-N-(cyclohexylmethyl)-N''-[3-(1H-imidazol-4-yl)propyl]guanidine
SCHEMBL7972670
N-Cyano-N'-[3-(1H-imidazol-4-yl)propyl]-N"-cyclohexylmethylguanidine
BDBM50283876
[ Show all ]
Inchi KeyBENZNUIXJBFMGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H24N6/c16-11-20-15(19-9-13-5-2-1-3-6-13)18-8-4-7-14-10-17-12-21-14/h10,12-13H,1-9H2,(H,17,21)(H2,18,19,20)
PubChem CID44330463
ChEMBLCHEMBL99518
IUPHARN/A
BindingDB50283876
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki19.95 nM, Bioorg. Med. Chem. Lett., (1994) 4:24:2907BindingDB,ChEMBL
Ki22.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:24:2907BindingDB,ChEMBL

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