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

NameCHEMBL3617565
Molecular formulaC30H27ClF4N2O4
IUPAC name3-[[4-[(1R,2S)-1-(5-chloro-7-fluoro-1H-indol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]benzoyl]amino]propanoic acid
Molecular weight591.0
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP7.8
SynonymsBDBM50119552
3-(4-((1R,2S)-1-(5-chloro-7-fluoro-1H-indol-3-yl)-1-(4-(trifluoromethoxy)phenyl)-pentan-2-yl)benzamido)propanoic acid
BXIHDDDPFHQOPE-AMGIVPHBSA-N
SCHEMBL16693870
Inchi KeyBXIHDDDPFHQOPE-AMGIVPHBSA-N
Inchi IDInChI=1S/C30H27ClF4N2O4/c1-2-3-22(17-4-6-19(7-5-17)29(40)36-13-12-26(38)39)27(18-8-10-21(11-9-18)41-30(33,34)35)24-16-37-28-23(24)14-20(31)15-25(28)32/h4-11,14-16,22,27,37H,2-3,12-13H2,1H3,(H,36,40)(H,38,39)/t22-,27+/m1/s1
PubChem CID91755011
ChEMBLCHEMBL3617565
IUPHARN/A
BindingDB50119552
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
467235Glucagon receptorP47871GCGRHomo sapiens (Human)477

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