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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

NameCHEMBL99540
Molecular formulaC22H31N5O2
IUPAC namebenzyl N-[N'-(cyclohexylmethyl)-N-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]carbamate
Molecular weight397.523
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.6
SynonymsBDBM50283873
N-Cyclohexylmethyl-N''-[3-(1H-imidazol-4-yl)-propyl]-N''''-carbonyloxybenzyl-guanidine
Inchi KeyDBPDVWIWXYNJKU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N5O2/c28-22(29-16-19-10-5-2-6-11-19)27-21(25-14-18-8-3-1-4-9-18)24-13-7-12-20-15-23-17-26-20/h2,5-6,10-11,15,17-18H,1,3-4,7-9,12-14,16H2,(H,23,26)(H2,24,25,27,28)
PubChem CID44330454
ChEMBLCHEMBL99540
IUPHARN/A
BindingDB50283873
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki12.59 nM, Bioorg. Med. Chem. Lett., (1994) 4:24:2907BindingDB,ChEMBL
Ki13.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:24:2907BindingDB,ChEMBL

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