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

NameAC1MVU2C
Molecular formulaC19H27ClFN3O3S
IUPAC nameN-[(2-chloro-4-fluorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
Molecular weight431.951
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
SynonymsUNM000000890601
MLS001031087
N-[(2-chloro-4-fluorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CHEMBL1874298
ZINC3060408
[ Show all ]
Inchi KeyAFDLYVOVJSFPIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27ClFN3O3S/c1-14-4-8-23(9-5-14)28(26,27)24-10-6-15(7-11-24)19(25)22-13-16-2-3-17(21)12-18(16)20/h2-3,12,14-15H,4-11,13H2,1H3,(H,22,25)
PubChem CID3688968
ChEMBLCHEMBL1874298
IUPHARN/A
BindingDBN/A
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
463379Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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