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

NameCHEMBL286355
Molecular formulaC28H38N2O
IUPAC nameN-[1-(cyclooctylmethyl)piperidin-4-yl]-2,2-diphenylacetamide
Molecular weight418.625
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.9
SynonymsN-(1-Cyclooctylmethyl-piperidin-4-yl)-2,2-diphenyl-acetamide
BDBM50098645
Inchi KeyFORGSABZBFVYHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H38N2O/c31-28(27(24-14-8-4-9-15-24)25-16-10-5-11-17-25)29-26-18-20-30(21-19-26)22-23-12-6-2-1-3-7-13-23/h4-5,8-11,14-17,23,26-27H,1-3,6-7,12-13,18-22H2,(H,29,31)
PubChem CID10811980
ChEMBLCHEMBL286355
IUPHARN/A
BindingDB50098645
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
83533C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355
83534C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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