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

NameCHEMBL3601784
Molecular formulaC16H17I2N7O3
IUPAC nameN-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(2,4-diiodo-1H-imidazol-5-yl)-1-oxopropan-2-yl]pyrazine-2-carboxamide
Molecular weight609.167
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP-0.1
SynonymsBDBM50109018
Inchi KeyPBNFVLRTBHZJGT-ONGXEEELSA-N
Inchi IDInChI=1S/C16H17I2N7O3/c17-12-8(23-16(18)24-12)6-9(22-14(27)10-7-20-3-4-21-10)15(28)25-5-1-2-11(25)13(19)26/h3-4,7,9,11H,1-2,5-6H2,(H2,19,26)(H,22,27)(H,23,24)/t9-,11-/m0/s1
PubChem CID122185156
ChEMBLCHEMBL3601784
IUPHARN/A
BindingDB50109018
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
494591Thyrotropin-releasing hormone receptorP21761TrhrMus musculus (Mouse)393

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