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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameNeurotensin receptor type 2
SpeciesHomo sapiens (Human)
GeneNTSR2
Synonymlevocabastine-sensitive neurotensin receptor
neurotensin receptor type 2
high-affinity levocabastine-sensitive neurotensin receptor
NT2R
NTR2
[ Show all ]
DiseaseN/A
Length410
Amino acid sequenceMETSSPRPPRPSSNPGLSLDARLGVDTRLWAKVLFTALYALIWALGAAGNALSAHVVLKARAGRAGRLRHHVLSLALAGLLLLLVGVPVELYSFVWFHYPWVFGDLGCRGYYFVHELCAYATVLSVAGLSAERCLAVCQPLRARSLLTPRRTRWLVALSWAASLGLALPMAVIMGQKHELETADGEPEPASRVCTVLVSRTALQVFIQVNVLVSFVLPLALTAFLNGVTVSHLLALCSQVPSTSTPGSSTPSRLELLSEEGLLSFIVWKKTFIQGGQVSLVRHKDVRRIRSLQRSVQVLRAIVVMYVICWLPYHARRLMYCYVPDDAWTDPLYNFYHYFYMVTNTLFYVSSAVTPLLYNAVSSSFRKLFLEAVSSLCGEHHPMKRLPPKPQSPTLMDTASGFGDPPETRT
UniProtO95665
Protein Data BankN/A
GPCR-HGmod modelO95665
3D structure modelThis predicted structure model is from GPCR-EXP O95665.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2514
IUPHAR310
DrugBankN/A

Ligand

NameCHEMBL2431115
Molecular formulaC23H28N4O3
IUPAC name2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
Molecular weight408.502
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.3
SynonymsPDEAKHQWPNWDTL-UHFFFAOYSA-N
SCHEMBL15818947
BDBM50440753
MLS-0471479.0001
2-ethyl-6,7-dimethoxy-4-(4-(2-methoxyphenyl)piperazin-1-yl)quinazoline
Inchi KeyPDEAKHQWPNWDTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O3/c1-5-22-24-17-15-21(30-4)20(29-3)14-16(17)23(25-22)27-12-10-26(11-13-27)18-8-6-7-9-19(18)28-2/h6-9,14-15H,5,10-13H2,1-4H3
PubChem CID56593293
ChEMBLCHEMBL2431115
IUPHARN/A
BindingDB50440753
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<80000.0 nMPMID24611085ChEMBL

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