Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3932664
Molecular formulaC22H23FN4O3
IUPAC name5-[2-[(2R)-6-(5-cyclopropyloxy-2-fluoro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]ethyl]-2H-tetrazole
Molecular weight410.449
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50207059
Inchi KeyHDJUXRGWNBPXKN-MRXNPFEDSA-N
Inchi IDInChI=1S/C22H23FN4O3/c1-28-20-12-17(29-15-5-6-15)11-18(22(20)23)13-3-8-19-14(10-13)2-4-16(30-19)7-9-21-24-26-27-25-21/h3,8,10-12,15-16H,2,4-7,9H2,1H3,(H,24,25,26,27)/t16-/m1/s1
PubChem CID134138281
ChEMBLCHEMBL3932664
IUPHARN/A
BindingDB50207059
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
549243Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
549242Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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