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

NameCHEMBL301618
Molecular formulaC33H33F7N2O
IUPAC nameN-[[4-[4-(4-fluorophenyl)piperidin-1-yl]-1-phenylcyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
Molecular weight606.629
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP8.4
SynonymsN-{4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexylmethyl}-3,5-bis-trifluoromethyl-benzamide
CHEMBL2115008
N-[1-Phenyl-4alpha-[4-(4-fluorophenyl)piperidino]cyclohexane-1alpha-ylmethyl]-3,5-bis(trifluoromethyl)benzamide
SCHEMBL6532300
CHEMBL2115452
[ Show all ]
Inchi KeyANCCACIMFBJXGH-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H33F7N2O/c34-28-8-6-22(7-9-28)23-12-16-42(17-13-23)29-10-14-31(15-11-29,25-4-2-1-3-5-25)21-41-30(43)24-18-26(32(35,36)37)20-27(19-24)33(38,39)40/h1-9,18-20,23,29H,10-17,21H2,(H,41,43)
PubChem CID22293526
ChEMBLN/A
IUPHARN/A
BindingDB50114932
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
9429Substance-P receptorP25103TACR1Homo sapiens (Human)407

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