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

NameCHEMBL212044
Molecular formulaC35H41Cl3N4O4
IUPAC nameN-benzyl-2,2,2-trichloro-N-[3-[[3-(2-morpholin-4-ylethoxy)-N-(phenylcarbamoyl)anilino]methyl]cyclohexyl]acetamide
Molecular weight688.087
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50186115
rac-1-((3-(N-benzyl-2,2,2-trichloroacetamido)cyclohexyl)methyl)-1-(3-(2-morpholinoethoxy)phenyl)-3-phenylurea
Inchi KeyIFLWLFWRVQTDET-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H41Cl3N4O4/c36-35(37,38)33(43)41(25-27-9-3-1-4-10-27)30-14-7-11-28(23-30)26-42(34(44)39-29-12-5-2-6-13-29)31-15-8-16-32(24-31)46-22-19-40-17-20-45-21-18-40/h1-6,8-10,12-13,15-16,24,28,30H,7,11,14,17-23,25-26H2,(H,39,44)
PubChem CID44412977
ChEMBLN/A
IUPHARN/A
BindingDB50186115
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
131994Motilin receptorO43193MLNRHomo sapiens (Human)412

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