Zhang Lab

University of Michigan

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL44220
Molecular formula	C10H18N4S
IUPAC name	1-[5-(1H-imidazol-5-yl)pentyl]-3-methylthiourea
Molecular weight	226.342
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	0.8
Synonyms	N-[5-(1H-Imidazol-4-yl)pentyl]-N'-methylthiourea 1-[5-(1H-imidazol-5-yl)pentyl]-3-methylthiourea AC1NQNAJ SCHEMBL11110967 34042-45-0 BDBM50407372 L013136 Thiourea, N-[5-(1H-imidazol-5-yl)pentyl]-N'-methyl- [ Show all ]
Inchi Key	BHXVXFKQYAHZKJ-UHFFFAOYSA-N
Inchi ID	InChI=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 CID	5250783
ChEMBL	CHEMBL44220
IUPHAR	N/A
BindingDB	50407372
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
24183	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488
24184	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
24185	Histamine H3 receptor	Q9JI35	HRH3	Cavia porcellus (Guinea pig)	445

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