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GPCR

NameOrexin receptor type 1
SpeciesHomo sapiens (Human)
GeneHCRTR1
Synonymhypocretin receptor 1
OX1R
Ox1-R
OX1 receptor
Ox-1-R
[ Show all ]
DiseaseInsomnia
Sleep disorders; Insomnia; Substance dependence
Sleep disorders; Insomnia
Length425
Amino acid sequenceMEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
UniProtO43613
Protein Data Bank4zjc, 4zj8
GPCR-HGmod modelO43613
3D structure modelThis structure is from PDB ID 4zjc.
BioLiPBL0339163, BL0339164
Therapeutic Target DatabaseT73482
ChEMBLCHEMBL5113
IUPHAR321
DrugBankBE0005864

Ligand

NameCHEMBL55270
Molecular formulaC17H13N5O2
IUPAC name1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,8-naphthyridin-4-yl)urea
Molecular weight319.324
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
Synonyms1-(2-Methyl-6-benzoxazolyl)-3-(1,8-naphthyridine-4-yl)urea
Inchi KeyALOXANRQGFAOAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H13N5O2/c1-10-20-14-5-4-11(9-15(14)24-10)21-17(23)22-13-6-8-19-16-12(13)3-2-7-18-16/h2-9H,1H3,(H2,18,19,21,22,23)
PubChem CID44299602
ChEMBLCHEMBL55270
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pKb6.5 -PMID19199652, PMID11459658ChEMBL

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