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

NameCHEMBL2182062
Molecular formulaC31H31N3O4
IUPAC nameethyl 1-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Molecular weight509.606
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.8
Synonyms1-{4'-[1-methyl-5-((R)-1-phenyl-ethoxycarbonylamino)-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
BDBM50398102
BKOZVMQVDMNHQR-OAQYLSRUSA-N
SCHEMBL17077062
Inchi KeyBKOZVMQVDMNHQR-OAQYLSRUSA-N
Inchi IDInChI=1S/C31H31N3O4/c1-4-37-29(35)31(18-19-31)26-16-14-24(15-17-26)23-10-12-25(13-11-23)27-20-32-34(3)28(27)33-30(36)38-21(2)22-8-6-5-7-9-22/h5-17,20-21H,4,18-19H2,1-3H3,(H,33,36)/t21-/m1/s1
PubChem CID71450323
ChEMBLCHEMBL2182062
IUPHARN/A
BindingDB50398102
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25977Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
25976Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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