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

NameCHEMBL3947162
Molecular formulaC26H28ClN3O6S
IUPAC name(2R,4S)-2-benzyl-N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide
Molecular weight546.035
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.3
SynonymsSCHEMBL17038208
Inchi KeyHRHDUWVAXXYOSY-QPPBQGQZSA-N
Inchi IDInChI=1S/C26H28ClN3O6S/c27-22-8-4-7-20(16-22)13-14-28-26(32)21(15-19-5-2-1-3-6-19)17-24(31)18-29-37(35,36)25-11-9-23(10-12-25)30(33)34/h1-12,16,21,24,29,31H,13-15,17-18H2,(H,28,32)/t21-,24+/m1/s1
PubChem CID118334856
ChEMBLCHEMBL3947162
IUPHARN/A
BindingDBN/A
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
539016Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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