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

NameCHEMBL2208314
Molecular formulaC23H28N8O3
IUPAC nameN-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1H-benzimidazole-2-carboxamide
Molecular weight464.53
Hydrogen bond acceptor5
Hydrogen bond donor6
XlogP0.6
SynonymsN/A
Inchi KeyINTKWAHKSMHEJY-ROUUACIJSA-N
Inchi IDInChI=1S/C23H28N8O3/c24-19(32)18(13-14-7-2-1-3-8-14)31-21(33)17(11-6-12-27-23(25)26)30-22(34)20-28-15-9-4-5-10-16(15)29-20/h1-5,7-10,17-18H,6,11-13H2,(H2,24,32)(H,28,29)(H,30,34)(H,31,33)(H4,25,26,27)/t17-,18-/m0/s1
PubChem CID71454356
ChEMBLCHEMBL2208314
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
137596Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
137595Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522

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