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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

NameCHEMBL3901510
Molecular formulaC20H21N5O2S
IUPAC name[(2S,5S)-5-methyl-2-(pyridin-2-yloxymethyl)thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight395.481
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.2
SynonymsN/A
Inchi KeyAIVALBMEWJKNRY-HOTGVXAUSA-N
Inchi IDInChI=1S/C20H21N5O2S/c1-15-14-28-16(13-27-19-8-4-5-9-21-19)12-24(15)20(26)17-6-2-3-7-18(17)25-22-10-11-23-25/h2-11,15-16H,12-14H2,1H3/t15-,16-/m0/s1
PubChem CID134134417
ChEMBLCHEMBL3901510
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
Ki55.0 nMNoneChEMBL

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