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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

NameCHEMBL306077
Molecular formulaC11H20N4S
IUPAC name1-[4-(1H-imidazol-5-yl)butyl]-3-propan-2-ylthiourea
Molecular weight240.369
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP1.2
SynonymsBDBM22896
N-[4-(1H-Imidazol-4-yl)butyl]-N'-isopropylthiourea
1-[4-(1H-imidazol-4-yl)butyl]-3-propan-2-ylthiourea
VUF 4683
Inchi KeyBAFIAMAZLRISIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H20N4S/c1-9(2)15-11(16)13-6-4-3-5-10-7-12-8-14-10/h7-9H,3-6H2,1-2H3,(H,12,14)(H2,13,15,16)
PubChem CID10060213
ChEMBLCHEMBL306077
IUPHARN/A
BindingDB22896
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd31.62 nMPMID7783156, PMID21044842BindingDB,ChEMBL

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