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

NameSMR000160170
Molecular formulaC13H22BrN5OS
IUPAC name1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-butylthiourea
Molecular weight376.317
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.1
SynonymsMCULE-7342679811
1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-butyl-thiourea
BDBM67193
1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-butylthiourea
cid_3711958
[ Show all ]
Inchi KeyAJROVUWRGYOUKB-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H22BrN5OS/c1-4-5-7-15-13(21)17-16-11(20)6-8-19-10(3)12(14)9(2)18-19/h4-8H2,1-3H3,(H,16,20)(H2,15,17,21)
PubChem CID3711958
ChEMBLCHEMBL1370701
IUPHARN/A
BindingDB67193
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7169Apelin receptorP35414APLNRHomo sapiens (Human)380
7168Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
7170Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
7167Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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