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

NameCHEMBL1829170
Molecular formulaC16H11Cl2NO2
IUPAC name3-[4-[2-(2,6-dichloropyridin-4-yl)ethynyl]phenyl]propanoic acid
Molecular weight320.169
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50419146
SCHEMBL1550209
ZINC72118613
Inchi KeyGCWBKYDSSJIRNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H11Cl2NO2/c17-14-9-13(10-15(18)19-14)6-5-11-1-3-12(4-2-11)7-8-16(20)21/h1-4,9-10H,7-8H2,(H,20,21)
PubChem CID54669771
ChEMBLCHEMBL1829170
IUPHARN/A
BindingDB50419146
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
93324Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
93325Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300

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