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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

NameCHEMBL435199
Molecular formulaC41H67N11O7
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2,7-diaminoheptanoyl]amino]methylidene]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Molecular weight826.057
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-0.2
SynonymsBDBM50133189
Compound KK14
Inchi KeyKDAYPBODTWHIKT-LWKXKDDLSA-N
Inchi IDInChI=1S/C41H67N11O7/c1-24(2)21-31(39(58)59)49-37(56)33(41(3,4)5)50-35(54)30(22-25-23-47-29-16-9-8-13-26(25)29)48-36(55)32-17-12-20-52(32)38(57)28(44)15-11-19-46-40(45)51-34(53)27(43)14-7-6-10-18-42/h8-9,13,16,23-24,27-28,30-33,47H,6-7,10-12,14-15,17-22,42-44H2,1-5H3,(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H3,45,46,51,53)/t27-,28-,30-,31-,32-,33+/m0/s1
PubChem CID44354121
ChEMBLCHEMBL435199
IUPHARN/A
BindingDB50133189
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
IC50500.0 nMPMID12954066BindingDB,ChEMBL

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