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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

NameCHEMBL3899699
Molecular formulaC36H57BrN8O8
IUPAC name(2S)-2-[[2-[[3-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]acetyl]amino]-4-methylpentanoic acid
Molecular weight809.804
Hydrogen bond acceptor11
Hydrogen bond donor8
XlogP-1.9
SynonymsBDBM50206697
Inchi KeyCNOYQNGPQZRJKW-XFIBNWRJSA-N
Inchi IDInChI=1S/C36H57BrN8O8/c1-22(2)20-27(34(50)51)42-29(46)21-41-35(52)36(15-19-53-30(36)23-11-13-24(37)14-12-23)44-32(48)28-10-7-18-45(28)33(49)26(9-4-6-17-39)43-31(47)25(40)8-3-5-16-38/h11-14,22,25-28,30H,3-10,15-21,38-40H2,1-2H3,(H,41,52)(H,42,46)(H,43,47)(H,44,48)(H,50,51)/t25-,26-,27-,28-,30?,36?/m0/s1
PubChem CID134134595
ChEMBLCHEMBL3899699
IUPHARN/A
BindingDB50206697
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.

Experimental Data

ParameterValueReferenceDatabase source
Ki<50000.0 nMPMID27842797BindingDB,ChEMBL
Ki35000.0 nMPMID27842797BindingDB,ChEMBL

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