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GPCR

NameNeurotensin receptor type 2
SpeciesHomo sapiens (Human)
GeneNTSR2
Synonymlevocabastine-sensitive neurotensin receptor
neurotensin receptor type 2
high-affinity levocabastine-sensitive neurotensin receptor
NT2R
NTR2
[ Show all ]
DiseaseN/A
Length410
Amino acid sequenceMETSSPRPPRPSSNPGLSLDARLGVDTRLWAKVLFTALYALIWALGAAGNALSAHVVLKARAGRAGRLRHHVLSLALAGLLLLLVGVPVELYSFVWFHYPWVFGDLGCRGYYFVHELCAYATVLSVAGLSAERCLAVCQPLRARSLLTPRRTRWLVALSWAASLGLALPMAVIMGQKHELETADGEPEPASRVCTVLVSRTALQVFIQVNVLVSFVLPLALTAFLNGVTVSHLLALCSQVPSTSTPGSSTPSRLELLSEEGLLSFIVWKKTFIQGGQVSLVRHKDVRRIRSLQRSVQVLRAIVVMYVICWLPYHARRLMYCYVPDDAWTDPLYNFYHYFYMVTNTLFYVSSAVTPLLYNAVSSSFRKLFLEAVSSLCGEHHPMKRLPPKPQSPTLMDTASGFGDPPETRT
UniProtO95665
Protein Data BankN/A
GPCR-HGmod modelO95665
3D structure modelThis predicted structure model is from GPCR-EXP O95665.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2514
IUPHAR310
DrugBankN/A

Ligand

NameCHEMBL3971946
Molecular formulaC36H58N12O9
IUPAC name(2S)-2-[[2-[[(2S,3R)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-hydroxyphenyl)oxolane-3-carbonyl]amino]acetyl]amino]-4-methylpentanoic acid
Molecular weight802.935
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP-4.8
SynonymsBDBM50206702
Inchi KeyITDNHCVOGVXTKF-SATRMGJLSA-N
Inchi IDInChI=1S/C36H58N12O9/c1-20(2)18-25(32(54)55)45-27(50)19-44-33(56)36(13-17-57-28(36)21-9-11-22(49)12-10-21)47-30(52)26-8-5-16-48(26)31(53)24(7-4-15-43-35(40)41)46-29(51)23(37)6-3-14-42-34(38)39/h9-12,20,23-26,28,49H,3-8,13-19,37H2,1-2H3,(H,44,56)(H,45,50)(H,46,51)(H,47,52)(H,54,55)(H4,38,39,42)(H4,40,41,43)/t23-,24-,25-,26-,28-,36+/m0/s1
PubChem CID134153118
ChEMBLCHEMBL3971946
IUPHARN/A
BindingDB50206702
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
Ki29.0 nMPMID27842797BindingDB,ChEMBL

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