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

NameCHEMBL1089207
Molecular formulaC27H21N7O3
IUPAC name1'-methyl-3-[(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoxaline-7,5'-imidazolidine]-2',4'-dione
Molecular weight491.511
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.6
SynonymsBDBM50315396
SCHEMBL4308289
3''-methyl-2-((2-oxo-3-(pyridin-2-yl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-6,8-dihydrospiro[cyclopenta[g]quinoxaline-7,4''-imidazolidine]-2'',5''-dione
Inchi KeyCAJFPJMWJFYMRU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H21N7O3/c1-32-25(36)31-24(35)27(32)12-16-10-19-20(11-17(16)13-27)30-18(14-29-19)15-33-21-6-2-3-7-22(21)34(26(33)37)23-8-4-5-9-28-23/h2-11,14H,12-13,15H2,1H3,(H,31,35,36)
PubChem CID16745090
ChEMBLCHEMBL1089207
IUPHARN/A
BindingDB50315396
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37239Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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