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

NameCHEMBL2204978
Molecular formulaC24H28F3N5O3S
IUPAC name(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine
Molecular weight523.575
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP2.7
SynonymsADGJUTULKDDKNB-QHCPKHFHSA-N
(S)-5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-methyl-2-[1-(5-trifluoromethyl-pyrimidin-2-yl)-piperidin-4-yl]-2,3-dihydro-furo[2,3-c]pyridine
BDBM50400768
SCHEMBL14576218
Inchi KeyADGJUTULKDDKNB-QHCPKHFHSA-N
Inchi IDInChI=1S/C24H28F3N5O3S/c1-23(18-5-7-31(8-6-18)22-29-13-19(14-30-22)24(25,26)27)12-17-11-20(28-15-21(17)35-23)16-3-9-32(10-4-16)36(2,33)34/h3,11,13-15,18H,4-10,12H2,1-2H3/t23-/m0/s1
PubChem CID71208866
ChEMBLCHEMBL2204978
IUPHARN/A
BindingDB50400768
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2291Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

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