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

NameCHEMBL315873
Molecular formulaC31H40N4O5S
IUPAC name1-[2-[4-[(2-butyl-1,4-dioxo-2,3-diazaspiro[4.4]nonan-3-yl)methyl]phenyl]phenyl]sulfonyl-3-cyclohexylurea
Molecular weight580.744
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50089988
N-(Cyclohexylcarbamoyl)-2-[4-(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]nonane-2-ylmethyl)phenyl]benzenesulfonamide
4''-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-ylmethyl)-2-sulfonyl-N-cyclohexylureido biphenyl
Inchi KeyBEIVIEJLXARNLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H40N4O5S/c1-2-3-21-34-28(36)31(19-9-10-20-31)29(37)35(34)22-23-15-17-24(18-16-23)26-13-7-8-14-27(26)41(39,40)33-30(38)32-25-11-5-4-6-12-25/h7-8,13-18,25H,2-6,9-12,19-22H2,1H3,(H2,32,33,38)
PubChem CID11801362
ChEMBLCHEMBL315873
IUPHARN/A
BindingDB50089988
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
21577Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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