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

NameCHEMBL172938
Molecular formulaC24H28N4O3
IUPAC nameN-[(2S)-1-[[(2S)-1-[1-(1H-indol-3-yl)propan-2-ylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
Molecular weight420.513
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP3.2
SynonymsN/A
Inchi KeyFOGXNRQBQROVML-BSOSBYQFSA-N
Inchi IDInChI=1S/C24H28N4O3/c1-15(13-19-14-25-21-12-8-7-11-20(19)21)26-22(29)16(2)27-23(30)17(3)28-24(31)18-9-5-4-6-10-18/h4-12,14-17,25H,13H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t15?,16-,17-/m0/s1
PubChem CID44384061
ChEMBLCHEMBL172938
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
83278Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
83279Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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