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GPCR

NameNeurotensin receptor type 1
SpeciesRattus norvegicus (Rat)
GeneNtsr1
SynonymNTS1 receptor
NTRH
NTR1
NTR
NT-R-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length424
Amino acid sequenceMHLNSSVPQGTPGEPDAQPFSGPQSEMEATFLALSLSNGSGNTSESDTAGPNSDLDVNTDIYSKVLVTAIYLALFVVGTVGNSVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLILLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNRSGDGTHPGGLVCTPIVDTATVKVVIQVNTFMSFLFPMLVISILNTVIANKLTVMVHQAAEQGRVCTVGTHNGLEHSTFNMTIEPGRVQALRHGVLVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTTFLFDFYHYFYMLTNALFYVSSAINPILYNLVSANFRQVFLSTLACLCPGWRHRRKKRPTFSRKPNSMSSNHAFSTSATRETLY
UniProtP20789
Protein Data Bank3zev, 4buo, 4bv0, 4bwb, 5t04
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 3zev.
BioLiPBL0365097, BL0267346,BL0267350, BL0267315,BL0267316, BL0267314,BL0267317, BL0267354,BL0267355, BL0267356,BL0267357, BL0365096, BL0267347,BL0267348,BL0267349,
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3027
IUPHAR309
DrugBankN/A

Ligand

NameCHEMBL3290099
Molecular formulaC30H31N3O5
IUPAC name(2S)-2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carbonyl]amino]acetic acid
Molecular weight513.594
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.4
SynonymsSCHEMBL17114647
BDBM50019415
Inchi KeyCROGQCMVECQNQB-NDEPHWFRSA-N
Inchi IDInChI=1S/C30H31N3O5/c1-37-25-16-9-17-26(38-2)27(25)24-18-22(29(34)31-28(30(35)36)20-11-4-3-5-12-20)32-33(24)23-15-8-13-19-10-6-7-14-21(19)23/h6-10,13-18,20,28H,3-5,11-12H2,1-2H3,(H,31,34)(H,35,36)/t28-/m0/s1
PubChem CID90644392
ChEMBLCHEMBL3290099
IUPHARN/A
BindingDB50019415
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ke58.0 nMPMID24856674ChEMBL

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