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

NameCHEMBL2208337
Molecular formulaC28H32N6O3
IUPAC nameN-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-phenylbenzamide
Molecular weight500.603
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP2.3
SynonymsBDBM50402454
Inchi KeyOLITVZQCNVWUKT-ZEQRLZLVSA-N
Inchi IDInChI=1S/C28H32N6O3/c29-25(35)24(18-19-10-3-1-4-11-19)34-27(37)23(16-9-17-32-28(30)31)33-26(36)22-15-8-7-14-21(22)20-12-5-2-6-13-20/h1-8,10-15,23-24H,9,16-18H2,(H2,29,35)(H,33,36)(H,34,37)(H4,30,31,32)/t23-,24-/m0/s1
PubChem CID71463277
ChEMBLCHEMBL2208337
IUPHARN/A
BindingDB50402454
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
244315Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
244316Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417