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

NameCHEMBL2010848
Molecular formulaC22H23F4N7O
IUPAC nameN-[(3S,4R)-3-fluoro-1-[[5-(trifluoromethyl)pyridin-2-yl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
Molecular weight477.468
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50379164
Inchi KeyBOSVYVGSGZEAPB-VQTJNVASSA-N
Inchi IDInChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-6-18(7-3-15)33-14-28-29-30-33)20-8-9-32(13-19(20)23)12-17-5-4-16(11-27-17)22(24,25)26/h2-7,11,14,19-20H,8-10,12-13H2,1H3/t19-,20+/m0/s1
PubChem CID70695705
ChEMBLCHEMBL2010848
IUPHARN/A
BindingDB50379164
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
29113Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

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