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

NameCHEMBL3360834
Molecular formulaC29H39N7O
IUPAC name(2S)-2-amino-N-[[4-anilino-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-5-(diaminomethylideneamino)pentanamide
Molecular weight501.679
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP2.7
SynonymsBDBM50029185
Inchi KeyKUSIVFVMUFMYRY-SANMLTNESA-N
Inchi IDInChI=1S/C29H39N7O/c30-26(11-6-16-33-28(31)32)27(37)34-21-29(35-25-9-2-1-3-10-25)14-17-36(18-15-29)20-22-12-13-23-7-4-5-8-24(23)19-22/h1-5,7-10,12-13,19,26,35H,6,11,14-18,20-21,30H2,(H,34,37)(H4,31,32,33)/t26-/m0/s1
PubChem CID118724540
ChEMBLCHEMBL3360834
IUPHARN/A
BindingDB50029185
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
448746Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
448745Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522

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