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:

Ligand

NameCHEMBL3315195
Molecular formulaC16H19BrN2O3
IUPAC name(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
Molecular weight367.243
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50048911
MCULE-8508460017
MolPort-019-825-808
AKOS016376076
1324846-73-2
[ Show all ]
Inchi KeyCDRAIXPUDIEYIM-ZDUSSCGKSA-N
Inchi IDInChI=1S/C16H19BrN2O3/c1-10(2)7-13(16(21)22)18-15(20)9-19-6-5-11-8-12(17)3-4-14(11)19/h3-6,8,10,13H,7,9H2,1-2H3,(H,18,20)(H,21,22)/t13-/m0/s1
PubChem CID56723766
ChEMBLCHEMBL3315195
IUPHARN/A
BindingDB50048911
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443254Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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