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

NameCHEMBL331319
Molecular formulaC28H32F2N4O3S
IUPAC name(2S)-2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
Molecular weight542.646
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.7
SynonymsBDBM50084692
2-Amino-6-(2-fluoro-benzenesulfonylamino)-hexanoic acid (6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-amide
Inchi KeyALVGMHQSSHZIGN-DHWVBAGJSA-N
Inchi IDInChI=1S/C28H32F2N4O3S/c29-21-11-12-22-20(17-21)10-13-26(23(22)16-19-6-5-14-32-18-19)34-28(35)25(31)8-3-4-15-33-38(36,37)27-9-2-1-7-24(27)30/h1-2,5-7,9,11-12,14,17-18,23,25-26,33H,3-4,8,10,13,15-16,31H2,(H,34,35)/t23?,25-,26?/m0/s1
PubChem CID44344259
ChEMBLCHEMBL331319
IUPHARN/A
BindingDB50084692
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8598Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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