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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

NameCHEMBL3741065
Molecular formulaC23H19ClN2O4
IUPAC name1-[(2-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)quinazoline-2,4-dione
Molecular weight422.865
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsEU-0091094
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
MolPort-007-608-326
F0922-0211
899922-83-9
[ Show all ]
Inchi KeyAGVDSFYCZYCKNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19ClN2O4/c1-29-20-12-11-16(13-21(20)30-2)26-22(27)17-8-4-6-10-19(17)25(23(26)28)14-15-7-3-5-9-18(15)24/h3-13H,14H2,1-2H3
PubChem CID16002587
ChEMBLCHEMBL3741065
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
Ki<6309.57 nMMedChemComm, (2015) 6:5:947ChEMBL

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