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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

NameMLS000709291
Molecular formulaC17H25N5O3
IUPAC nameN-[(E)-1-(4-hexoxy-3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
Molecular weight347.419
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
SynonymsCHEMBL3207463
SR-01000367424-1
MolPort-019-766-111
[1-(4-hexoxy-3-nitro-phenyl)ethylideneamino]-(2-imidazolin-2-yl)amine
BDBM51841
[ Show all ]
Inchi KeyAKJVZFLOSQWOMV-DEDYPNTBSA-N
Inchi IDInChI=1S/C17H25N5O3/c1-3-4-5-6-11-25-16-8-7-14(12-15(16)22(23)24)13(2)20-21-17-18-9-10-19-17/h7-8,12H,3-6,9-11H2,1-2H3,(H2,18,19,21)/b20-13+
PubChem CID9590748
ChEMBLCHEMBL3207463
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
EC5018900.0 nMPubChem BioAssay data setChEMBL

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