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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

NameCHEMBL132794
Molecular formulaC42H73N10O8+
IUPAC name[(6S)-6-amino-7-[[N'-[(4S)-4-amino-5-[(2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentyl]carbamimidoyl]amino]-7-oxoheptyl]-trimethylazanium
Molecular weight846.108
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP0.3
SynonymsBDBM50133202
Compound KK4
Inchi KeyOVWABJJHOAGNSE-FKBNJGARSA-O
Inchi IDInChI=1S/C42H72N10O8/c1-8-27(4)35(39(57)48-33(41(59)60)24-26(2)3)49-37(55)32(25-28-17-19-29(53)20-18-28)47-38(56)34-16-13-22-51(34)40(58)31(44)15-12-21-46-42(45)50-36(54)30(43)14-10-9-11-23-52(5,6)7/h17-20,26-27,30-35H,8-16,21-25,43-44H2,1-7H3,(H7-,45,46,47,48,49,50,53,54,55,56,57,59,60)/p+1/t27-,30-,31-,32-,33-,34-,35-/m0/s1
PubChem CID44354211
ChEMBLCHEMBL132794
IUPHARN/A
BindingDB50133202
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
IC503.1 nMPMID12954066BindingDB,ChEMBL

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