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GPCR

NameHistamine H3 receptor
SpeciesRattus norvegicus (Rat)
GeneHrh3
SynonymGPCR97
H3 receptor
H3R
HH3R
DiseaseN/A for non-human GPCRs
Length445
Amino acid sequenceMERAPPDGLMNASGTLAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVEAGEAALGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGRCIPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
UniProtQ9QYN8
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4124
IUPHAR264
DrugBankN/A

Ligand

NameCHEMBL112576
Molecular formulaC9H8N4O2S
IUPAC name2-(1H-imidazol-5-ylmethylsulfanyl)-5-nitropyridine
Molecular weight236.249
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.2
Synonyms4-[[(5-Nitro-2-pyridinyl)thio]methyl]-1H-imidazole
AYCCHKHRXVVMGA-UHFFFAOYSA-N
SCHEMBL7974707
2-[(1H-Imidazol-4-yl)methylthio]-5-nitropyridine
Inchi KeyAYCCHKHRXVVMGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H8N4O2S/c14-13(15)8-1-2-9(11-4-8)16-5-7-3-10-6-12-7/h1-4,6H,5H2,(H,10,12)
PubChem CID10331662
ChEMBLCHEMBL112576
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
Ki600.0 nMPMID7650687ChEMBL

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