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

NameCHEMBL3675879
Molecular formulaC28H21Cl2F2N3O3
IUPAC name3-[[5-[2-[[3-chloro-4-(4-chlorophenyl)anilino]methyl]-4,5-difluorophenyl]pyridine-2-carbonyl]amino]propanoic acid
Molecular weight556.391
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP6.1
SynonymsBDBM123600
SCHEMBL14054582
US8748624, 103
Inchi KeyCEWLDXUMLKECQZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H21Cl2F2N3O3/c29-19-4-1-16(2-5-19)21-7-6-20(12-23(21)30)34-15-18-11-24(31)25(32)13-22(18)17-3-8-26(35-14-17)28(38)33-10-9-27(36)37/h1-8,11-14,34H,9-10,15H2,(H,33,38)(H,36,37)
PubChem CID71059950
ChEMBLCHEMBL3675879
IUPHARN/A
BindingDB123600
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
459576Glucagon receptorP47871GCGRHomo sapiens (Human)477

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