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

NameCHEMBL1644182
Molecular formulaC25H16Cl2F3N7O2
IUPAC name4-[[5-(3,5-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
Molecular weight574.345
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50334480
SCHEMBL2667297
4-((5-(3,5-dichlorophenyl)-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
Inchi KeyGZYITZKAMSNQMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H16Cl2F3N7O2/c26-18-9-17(10-19(27)11-18)22-12-21(15-5-7-20(8-6-15)39-25(28,29)30)34-37(22)13-14-1-3-16(4-2-14)23(38)31-24-32-35-36-33-24/h1-12H,13H2,(H2,31,32,33,35,36,38)
PubChem CID10053841
ChEMBLCHEMBL1644182
IUPHARN/A
BindingDB50334480
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
109609Gastric inhibitory polypeptide receptorP48546GIPRHomo sapiens (Human)466
109608Glucagon receptorP47871GCGRHomo sapiens (Human)477

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