Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

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

NameCHEMBL3954824
Molecular formulaC34H54BrN11O7
IUPAC name(2S)-2-[[3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-4-methylpentanoic acid
Molecular weight808.78
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP-3.1
SynonymsBDBM50206699
Inchi KeyLRYOSYNIIZNWRV-QILQOVKBSA-N
Inchi IDInChI=1S/C34H54BrN11O7/c1-19(2)18-24(30(50)51)44-31(52)34(13-17-53-26(34)20-9-11-21(35)12-10-20)45-28(48)25-8-5-16-46(25)29(49)23(7-4-15-42-33(39)40)43-27(47)22(36)6-3-14-41-32(37)38/h9-12,19,22-26H,3-8,13-18,36H2,1-2H3,(H,43,47)(H,44,52)(H,45,48)(H,50,51)(H4,37,38,41)(H4,39,40,42)/t22-,23-,24-,25-,26?,34?/m0/s1
PubChem CID134143837
ChEMBLCHEMBL3954824
IUPHARN/A
BindingDB50206699
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1430.0 nMPMID27842797BindingDB,ChEMBL
Ki49000.0 nMPMID27842797BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218