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

NameCHEMBL3601786
Molecular formulaC18H21I2N7O3
IUPAC nameN-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1-ethyl-2,5-diiodoimidazol-4-yl)-1-oxopropan-2-yl]pyrazine-2-carboxamide
Molecular weight637.221
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.2
SynonymsBDBM50109023
Inchi KeyDGXZNFJLWJRJCR-AAEUAGOBSA-N
Inchi IDInChI=1S/C18H21I2N7O3/c1-2-26-14(19)10(25-18(26)20)8-11(24-16(29)12-9-22-5-6-23-12)17(30)27-7-3-4-13(27)15(21)28/h5-6,9,11,13H,2-4,7-8H2,1H3,(H2,21,28)(H,24,29)/t11-,13-/m0/s1
PubChem CID122185158
ChEMBLCHEMBL3601786
IUPHARN/A
BindingDB50109023
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
470292Thyrotropin-releasing hormone receptorP21761TrhrMus musculus (Mouse)393

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