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

NameCHEMBL396030
Molecular formulaC27H32F3N3O2
IUPAC name2-cyclohexyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-2-(3,4,5-trifluorophenyl)acetamide
Molecular weight487.567
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50423101
Inchi KeyKGVRKQKEMBCJOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32F3N3O2/c28-22-15-20(16-23(29)26(22)30)25(19-6-2-1-3-7-19)27(35)32-21-10-13-33(14-11-21)24(34)9-8-18-5-4-12-31-17-18/h4-5,12,15-17,19,21,25H,1-3,6-11,13-14H2,(H,32,35)
PubChem CID44430549
ChEMBLCHEMBL396030
IUPHARN/A
BindingDB50423101
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
168855C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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