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

NameCHEMBL3290734
Molecular formulaC32H27ClN4O7
IUPAC name2-[[(E)-3-[5-chloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxycarbonyl-3-methyl-1-benzofuran-2-yl]prop-2-enoyl]amino]acetic acid
Molecular weight615.039
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50019495
Inchi KeyBYPOYJAQQHIBLX-ZHACJKMWSA-N
Inchi IDInChI=1S/C32H27ClN4O7/c1-18-24(10-11-27(38)35-17-28(39)40)43-26-9-8-21(33)30(29(18)26)32(42)44-25-12-13-34-16-20(25)31(41)37-15-14-36(19-6-7-19)22-4-2-3-5-23(22)37/h2-5,8-13,16,19H,6-7,14-15,17H2,1H3,(H,35,38)(H,39,40)/b11-10+
PubChem CID90644457
ChEMBLCHEMBL3290734
IUPHARN/A
BindingDB50019495
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35984G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
35985G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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