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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

NameCHEMBL3622804
Molecular formulaC40H72N8O8Si2
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-[[(5R)-1-[(2S)-6-amino-2-[[(2S)-2,7-diaminoheptanoyl]amino]hexanoyl]-3,3-dimethyl-1,3-azasilolidine-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight849.234
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogPNone
SynonymsBDBM50124138
Inchi KeyJKNYDBWUVJUVPS-CVUOCSEZSA-N
Inchi IDInChI=1S/C40H72N8O8Si2/c1-26(2)21-32(40(55)56)46-37(52)33(23-57(3,4)5)47-36(51)31(22-27-15-17-28(49)18-16-27)45-38(53)34-24-58(6,7)25-48(34)39(54)30(14-10-12-20-42)44-35(50)29(43)13-9-8-11-19-41/h15-18,26,29-34,49H,8-14,19-25,41-43H2,1-7H3,(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)/t29-,30-,31-,32-,33-,34-/m0/s1
PubChem CID122192058
ChEMBLCHEMBL3622804
IUPHARN/A
BindingDB50124138
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID26348111BindingDB,ChEMBL

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