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

NameCHEMBL44220
Molecular formulaC10H18N4S
IUPAC name1-[5-(1H-imidazol-5-yl)pentyl]-3-methylthiourea
Molecular weight226.342
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP0.8
Synonyms1-[5-(1H-imidazol-5-yl)pentyl]-3-methylthiourea
N-[5-(1H-Imidazol-4-yl)pentyl]-N'-methylthiourea
AC1NQNAJ
34042-45-0
SCHEMBL11110967
[ Show all ]
Inchi KeyBHXVXFKQYAHZKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H18N4S/c1-11-10(15)13-6-4-2-3-5-9-7-12-8-14-9/h7-8H,2-6H2,1H3,(H,12,14)(H2,11,13,15)
PubChem CID5250783
ChEMBLCHEMBL44220
IUPHARN/A
BindingDB50407372
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24183Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
24184Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
24185Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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