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GPCR

NameNeurotensin receptor type 1
SpeciesHomo sapiens (Human)
GeneNTSR1
SynonymNTSR1
NTS1 receptor
NTRH
NTR1
NTR
[ Show all ]
DiseaseAcute or chronic pain
Alcohol use disorders
Pain
Inflammatory bowel disease
Neurological disease
Length418
Amino acid sequenceMRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
UniProtP30989
Protein Data BankN/A
GPCR-HGmod modelP30989
3D structure modelThis predicted structure model is from GPCR-EXP P30989.
BioLiPN/A
Therapeutic Target DatabaseT02728
ChEMBLCHEMBL4123
IUPHAR309
DrugBankN/A

Ligand

NameCHEMBL3315223
Molecular formulaC25H25N3O3
IUPAC name(2S)-2-[[2-(6-isoquinolin-4-ylindol-1-yl)acetyl]amino]-4-methylpentanoic acid
Molecular weight415.493
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50049056
Inchi KeyDSGAQGFOWYUCLM-QFIPXVFZSA-N
Inchi IDInChI=1S/C25H25N3O3/c1-16(2)11-22(25(30)31)27-24(29)15-28-10-9-17-7-8-18(12-23(17)28)21-14-26-13-19-5-3-4-6-20(19)21/h3-10,12-14,16,22H,11,15H2,1-2H3,(H,27,29)(H,30,31)/t22-/m0/s1
PubChem CID118708058
ChEMBLCHEMBL3315223
IUPHARN/A
BindingDB50049056
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC507460.0 nMPMID24997685BindingDB,ChEMBL
Emax96.95 %PMID24997685ChEMBL

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