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

NameCHEMBL3127149
Molecular formulaC19H19N3O2S
IUPAC name2-(3-phenyl-4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
Molecular weight353.44
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL12375370
Inchi KeyABIIJQRWPNNYBC-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N3O2S/c23-18(24)15-12-25-19(20-15)22-16-11-7-2-1-6-10-14(16)17(21-22)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,23,24)
PubChem CID59179985
ChEMBLCHEMBL3127149
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
883Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402

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