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

NameCHEMBL3932021
Molecular formulaC31H37N3O6S
IUPAC name(2R,4S)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[[4-(2-methylpropanoylamino)phenyl]sulfonylamino]pentanamide
Molecular weight579.712
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP3.0
SynonymsSCHEMBL17038249
Inchi KeyNBUAIKKBLUSKIS-IIFRUBFJSA-N
Inchi IDInChI=1S/C31H37N3O6S/c1-20(2)30(37)33-24-12-14-26(15-13-24)41(39,40)32-19-25(35)17-23(16-21-8-4-3-5-9-21)31(38)34-29-27-11-7-6-10-22(27)18-28(29)36/h3-15,20,23,25,28-29,32,35-36H,16-19H2,1-2H3,(H,33,37)(H,34,38)/t23-,25+,28-,29+/m1/s1
PubChem CID118334897
ChEMBLCHEMBL3932021
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
541762Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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