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

NameTbhpbo
Molecular formulaC14H21N3O3
IUPAC name4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
Molecular weight279.34
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP0.5
Synonyms4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one
C14H19N3O3
CGP12177A
DivK1c_006872
KBioGR_001194
[ Show all ]
Inchi KeyUMQUQWCJKFOUGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)
PubChem CID2687
ChEMBLCHEMBL420746
IUPHAR532, 5387
BindingDB25747, 50027879
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
340426Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
340427Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
340428Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
554967Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400
554968Beta-3 adrenergic receptorP25962Adrb3Mus musculus (Mouse)400
340429D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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