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 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

NameCHEMBL3921396
Molecular formulaC25H34N2O5S
IUPAC name(2R,4S)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropylsulfonylamino)pentanamide
Molecular weight474.616
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.6
SynonymsSCHEMBL17038204
Inchi KeyAENLKNMLXCKXMS-JSRBNTPPSA-N
Inchi IDInChI=1S/C25H34N2O5S/c1-17(2)16-33(31,32)26-15-21(28)13-20(12-18-8-4-3-5-9-18)25(30)27-24-22-11-7-6-10-19(22)14-23(24)29/h3-11,17,20-21,23-24,26,28-29H,12-16H2,1-2H3,(H,27,30)/t20-,21+,23-,24+/m1/s1
PubChem CID118334852
ChEMBLCHEMBL3921396
IUPHARN/A
BindingDBN/A
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
536008Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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