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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

NameCHEMBL3974582
Molecular formulaC23H21F2N7O3
IUPAC name[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]-[(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
Molecular weight481.464
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM184095
SCHEMBL14939542
US9150566, 133
Inchi KeyAHOIUZFUVOTFMM-QGZVFWFLSA-N
Inchi IDInChI=1S/C23H21F2N7O3/c1-34-20-5-4-19(32-28-8-9-29-32)21(22(20)25)23(33)30-10-11-35-14-17(30)13-15-12-16(2-3-18(15)24)31-26-6-7-27-31/h2-9,12,17H,10-11,13-14H2,1H3/t17-/m1/s1
PubChem CID89559808
ChEMBLCHEMBL3974582
IUPHARN/A
BindingDB184095
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5022.0 nM, NoneBindingDB,ChEMBL

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