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 ●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

NameCHEMBL1644176
Molecular formulaC25H24F3N7O2
IUPAC name4-[[5-cyclohexyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
Molecular weight511.509
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.9
Synonyms4-({5-Cyclohexyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl}methyl)-N-(1H-tetrazol-5-yl)benzamide
BDBM50334494
SCHEMBL2249266
4-((5-cyclohexyl-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-4-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
ATAZDKCXHQDNAJ-UHFFFAOYSA-N
Inchi KeyATAZDKCXHQDNAJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24F3N7O2/c26-25(27,28)37-21-12-10-20(11-13-21)35-22(17-4-2-1-3-5-17)19(15-29-35)14-16-6-8-18(9-7-16)23(36)30-24-31-33-34-32-24/h6-13,15,17H,1-5,14H2,(H2,30,31,32,33,34,36)
PubChem CID10255803
ChEMBLCHEMBL1644176
IUPHARN/A
BindingDB50334494
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
13788Gastric inhibitory polypeptide receptorP48546GIPRHomo sapiens (Human)466
13789Glucagon receptorP47871GCGRHomo sapiens (Human)477

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417