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

NameCHEMBL1644187
Molecular formulaC29H23F6N3O5
IUPAC name3-[[4-[1-[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
Molecular weight607.509
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP6.7
SynonymsSCHEMBL2667460
3-(4-(1-(3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid
BDBM50334501
Inchi KeySBJWFJAFNSJVJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H23F6N3O5/c1-17(18-2-4-21(5-3-18)27(41)36-15-14-26(39)40)38-25(20-8-12-23(13-9-20)43-29(33,34)35)16-24(37-38)19-6-10-22(11-7-19)42-28(30,31)32/h2-13,16-17H,14-15H2,1H3,(H,36,41)(H,39,40)
PubChem CID10461326
ChEMBLCHEMBL1644187
IUPHARN/A
BindingDB50334501
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
310124Gastric inhibitory polypeptide receptorP48546GIPRHomo sapiens (Human)466
310125Glucagon receptorP47871GCGRHomo sapiens (Human)477

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