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GPCR

NameHistamine H4 receptor
SpeciesHomo sapiens (Human)
GeneHRH4
SynonymPfi-013
SP9144
HH4R
H4R
H4 receptor
[ Show all ]
DiseaseAllergic rhinitis
Asthma
Inflammatory disease
Rheumatoid arthritis
Length390
Amino acid sequenceMPDTNSTINLSLSTRVTLAFFMSLVAFAIMLGNALVILAFVVDKNLRHRSSYFFLNLAISDFFVGVISIPLYIPHTLFEWDFGKEICVFWLTTDYLLCTASVYNIVLISYDRYLSVSNAVSYRTQHTGVLKIVTLMVAVWVLAFLVNGPMILVSESWKDEGSECEPGFFSEWYILAITSFLEFVIPVILVAYFNMNIYWSLWKRDHLSRCQSHPGLTAVSSNICGHSFRGRLSSRRSLSASTEVPASFHSERQRRKSSLMFSSRTKMNSNTIASKMGSFSQSDSVALHQREHVELLRARRLAKSLAILLGVFAVCWAPYSLFTIVLSFYSSATGPKSVWYRIAFWLQWFNSFVNPLLYPLCHKRFQKAFLKIFCIKKQPLPSQHSRSVSS
UniProtQ9H3N8
Protein Data BankN/A
GPCR-HGmod modelQ9H3N8
3D structure modelThis predicted structure model is from GPCR-EXP Q9H3N8.
BioLiPN/A
Therapeutic Target DatabaseT26500
ChEMBLCHEMBL3759
IUPHAR265
DrugBankBE0000146

Ligand

NameCHEMBL1915024
Molecular formulaC16H16F3N5O
IUPAC name4-[(3S)-3-aminopiperidin-1-yl]-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
Molecular weight351.333
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50356835
SCHEMBL604433
Inchi KeyBNAXSGLGACVHDB-QMMMGPOBSA-N
Inchi IDInChI=1S/C16H16F3N5O/c17-16(18,19)9-4-1-5-10-11(9)12-13(25-10)14(23-15(21)22-12)24-6-2-3-8(20)7-24/h1,4-5,8H,2-3,6-7,20H2,(H2,21,22,23)/t8-/m0/s1
PubChem CID24826519
ChEMBLCHEMBL1915024
IUPHARN/A
BindingDB50356835
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID21920744BindingDB,ChEMBL

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