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

NameCHEMBL304947
Molecular formulaC37H47N5O4S
IUPAC nameN-[2-butyl-3-[[4-[2-(3-cyclopentylpropanoylsulfamoyl)phenyl]phenyl]methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]pentanamide
Molecular weight657.874
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.8
SynonymsSCHEMBL9272898
BDBM50282276
Pentanoic acid {2-butyl-3-[2''-(3-cyclopentyl-propionylsulfamoyl)-biphenyl-4-ylmethyl]-5-methyl-3H-imidazo[4,5-b]pyridin-6-yl}-amide
Inchi KeyATGXSSDWXHYYIZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H47N5O4S/c1-4-6-16-34-39-32-24-31(40-35(43)17-7-5-2)26(3)38-37(32)42(34)25-28-18-21-29(22-19-28)30-14-10-11-15-33(30)47(45,46)41-36(44)23-20-27-12-8-9-13-27/h10-11,14-15,18-19,21-22,24,27H,4-9,12-13,16-17,20,23,25H2,1-3H3,(H,40,43)(H,41,44)
PubChem CID19754061
ChEMBLCHEMBL304947
IUPHARN/A
BindingDB50282276
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
13954Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
13955Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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