Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL2182038
Molecular formulaC28H26N8O2
IUPAC name[(1R)-1-phenylethyl] N-[5-methyl-3-[4-[4-[1-(2H-tetrazol-5-yl)cyclopropyl]phenyl]phenyl]triazol-4-yl]carbamate
Molecular weight506.57
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.0
SynonymsSCHEMBL16707818
BDBM50398115
Inchi KeyIBFKFXWDQNBRMW-LJQANCHMSA-N
Inchi IDInChI=1S/C28H26N8O2/c1-18-25(29-27(37)38-19(2)20-6-4-3-5-7-20)36(35-30-18)24-14-10-22(11-15-24)21-8-12-23(13-9-21)28(16-17-28)26-31-33-34-32-26/h3-15,19H,16-17H2,1-2H3,(H,29,37)(H,31,32,33,34)/t19-/m1/s1
PubChem CID71462862
ChEMBLCHEMBL2182038
IUPHARN/A
BindingDB50398115
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
129049Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
129050Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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