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

NameCHEMBL131209
Molecular formulaC32H36N4O3
IUPAC name2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid
Molecular weight524.665
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP6.7
Synonyms4''-[2-Butyl-7-(3-cyclohexyl-ureido)-benzoimidazol-1-ylmethyl]-biphenyl-2-carboxylic acid
BDBM50043276
SCHEMBL8393841
4'-[[2-Butyl-7-(3-cyclohexylureido)-1H-benzimidazol-1-yl]methyl]-1,1'-biphenyl-2-carboxylic acid
Inchi KeyBLKXPTJWHWQXCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36N4O3/c1-2-3-16-29-34-27-14-9-15-28(35-32(39)33-24-10-5-4-6-11-24)30(27)36(29)21-22-17-19-23(20-18-22)25-12-7-8-13-26(25)31(37)38/h7-9,12-15,17-20,24H,2-6,10-11,16,21H2,1H3,(H,37,38)(H2,33,35,39)
PubChem CID9984310
ChEMBLCHEMBL131209
IUPHARN/A
BindingDB50043276
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26751Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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