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GPCR

NameHistamine H4 receptor
SpeciesRattus norvegicus (Rat)
GeneHrh4
SynonymH4 receptor
H4R
HH4R
GPCR105
DiseaseN/A for non-human GPCRs
Length391
Amino acid sequenceMSESNGTDVLPLTAQVPLAFLMSLLAFAITIGNAVVILAFVADRNLRHRSNYFFLNLAISDFFVGVISIPLYIPHTLFNWNFGSGICMFWLITDYLLCTASVYSIVLISYDRYQSVSNAVRYRAQHTGILKIVAQMVAVWILAFLVNGPMILASDSWKNSTNTEECEPGFVTEWYILAITAFLEFLLPVSLVVYFSVQIYWSLWKRGSLSRCPSHAGFIATSSRGTGHSRRTGLACRTSLPGLKEPAASLHSESPRGKSSLLVSLRTHMSGSIIAFKVGSFCRSESPVLHQREHVELLRGRKLARSLAVLLSAFAICWAPYCLFTIVLSTYRRGERPKSIWYSIAFWLQWFNSLINPFLYPLCHRRFQKAFWKILCVTKQPAPSQTQSVSS
UniProtQ91ZY1
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4468
IUPHAR265
DrugBankN/A

Ligand

NameJNJ-7777120
Molecular formulaC14H16ClN3O
IUPAC name(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Molecular weight277.752
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.3
Synonyms459168-41-3
JNJ7777120
JNJ 7777120
UNII-4H1AU2V37X
HUQJRYMLJBBEDO-UHFFFAOYSA-N
[ Show all ]
Inchi KeyHUQJRYMLJBBEDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
PubChem CID4908365
ChEMBLCHEMBL129198
IUPHAR1278, 1279
BindingDB22566
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502.57 nMPMID18817367ChEMBL
EC5042.66 nMPMID18811133ChEMBL
Efficacy23.0 %PMID18811133ChEMBL
Ki2.4 nMPMID12954048BindingDB,ChEMBL
Ki2.6 nMPMID14722321BindingDB
Ki2.692 nMPMID18817367, PMID18811133ChEMBL
Ki2.7 nMPMID18817367, PMID18811133BindingDB
Ki4.266 nMPMID21920751ChEMBL
Ki4.27 nMPMID21920751BindingDB
Ki4.677 nMPMID18983139ChEMBL
Ki4.7 nMPMID18983139BindingDB
Ki6.0 nMPMID22153663BindingDB,ChEMBL
pKb7.19 -PMID18811133ChEMBL
pKb8.51 -PMID18983139ChEMBL
pKb8.59 -PMID18811133ChEMBL

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