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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

NameCHEMBL415989
Molecular formulaC22H28N6O4
IUPAC name3-(1H-imidazol-5-yl)propyl N-[[3-[[3-(1H-imidazol-5-yl)propoxycarbonylamino]methyl]phenyl]methyl]carbamate
Molecular weight440.504
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.9
SynonymsBDBM50051194
(3-{[3-(1H-Imidazol-4-yl)-propoxycarbonylamino]-methyl}-benzyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
Inchi KeyANTZCCLUSVYIOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N6O4/c29-21(31-8-2-6-19-13-23-15-27-19)25-11-17-4-1-5-18(10-17)12-26-22(30)32-9-3-7-20-14-24-16-28-20/h1,4-5,10,13-16H,2-3,6-9,11-12H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
PubChem CID10646764
ChEMBLCHEMBL415989
IUPHARN/A
BindingDB50051194
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki50.0 nMPMID8676353BindingDB,ChEMBL
Ki50.12 nMPMID8676353BindingDB,ChEMBL

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