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

NameCHEMBL3361434
Molecular formulaC23H29Cl2N5O
IUPAC nameN-[[1-benzyl-4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide
Molecular weight462.419
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50029132
Inchi KeyJKXJEIOISVQKNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29Cl2N5O/c24-19-7-6-18(12-20(19)25)13-23(16-29-21(31)14-28-22(26)27)8-10-30(11-9-23)15-17-4-2-1-3-5-17/h1-7,12H,8-11,13-16H2,(H,29,31)(H4,26,27,28)
PubChem CID118724993
ChEMBLCHEMBL3361434
IUPHARN/A
BindingDB50029132
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
447750Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
447749Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522

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