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

NameCHEMBL3966709
Molecular formulaC24H32N4O3
IUPAC nametert-butyl 4-[cyclopropyl-[4-(3-methylimidazol-4-yl)benzoyl]amino]piperidine-1-carboxylate
Molecular weight424.545
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.1
SynonymsBCHGUZHBMYZIGP-UHFFFAOYSA-N
BDBM254642
SCHEMBL15507278
4-{Cyclopropyl-[4-(3-methyl-3H-imidazol-4-yl)-benzoyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester
US9469631, 42
Inchi KeyBCHGUZHBMYZIGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N4O3/c1-24(2,3)31-23(30)27-13-11-20(12-14-27)28(19-9-10-19)22(29)18-7-5-17(6-8-18)21-15-25-16-26(21)4/h5-8,15-16,19-20H,9-14H2,1-4H3
PubChem CID89995652
ChEMBLCHEMBL3966709
IUPHARN/A
BindingDB254642
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
536482Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417