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GPCR

NameOrexin receptor type 2
SpeciesHomo sapiens (Human)
GeneHCRTR2
SynonymOx-2-R
OX2 receptor
Ox2-R
OX2R
orexin receptor type 2
[ Show all ]
DiseaseInsomnia
Length444
Amino acid sequenceMSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW
UniProtO43614
Protein Data Bank5ws3, 5wqc, 4s0v, 4rnb
GPCR-HGmod modelO43614
3D structure modelThis structure is from PDB ID 5ws3.
BioLiPBL0303710, BL0398950, BL0397818, BL0302679
Therapeutic Target DatabaseT69485
ChEMBLCHEMBL4792
IUPHAR322
DrugBankBE0005865

Ligand

NameCHEMBL469146
Molecular formulaC23H23N7O
IUPAC name[5-methyl-2-(triazol-2-yl)phenyl]-(4-quinazolin-2-yl-1,4-diazepan-1-yl)methanone
Molecular weight413.485
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
SynonymsSCHEMBL4328813
BDBM50258741
(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quinazolin-2-yl)-1,4-diazepan-1-yl)methanone
Inchi KeyAHMDYOOHWSZVAL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3
PubChem CID24882716
ChEMBLCHEMBL469146
IUPHARN/A
BindingDB50258741
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5027.0 nMPMID26317591, PMID20565075, PMID20207138BindingDB,ChEMBL
Ki0.59 nMPMID20565075BindingDB,ChEMBL
Ki0.6 nMPMID20610153, PMID20207138, PMID19406641BindingDB,ChEMBL

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