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

NameCHEMBL3798497
Molecular formulaC25H29ClN6O5
IUPAC name[(2S)-2-[5-chloro-3-[(6-methoxy-2,5-dimethylpyridin-3-yl)amino]-2-oxopyrazin-1-yl]-2-cyclopropylethyl] N-(6-methoxy-2-methylpyridin-3-yl)carbamate
Molecular weight528.994
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.4
SynonymsSCHEMBL12612907
Inchi KeyCWJXZPJHYATFGA-LJQANCHMSA-N
Inchi IDInChI=1S/C25H29ClN6O5/c1-13-10-18(15(3)28-23(13)36-5)29-22-24(33)32(11-20(26)31-22)19(16-6-7-16)12-37-25(34)30-17-8-9-21(35-4)27-14(17)2/h8-11,16,19H,6-7,12H2,1-5H3,(H,29,31)(H,30,34)/t19-/m1/s1
PubChem CID58280029
ChEMBLCHEMBL3798497
IUPHARN/A
BindingDBN/A
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
523054Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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