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	SCHEMBL602163
Molecular formula	C26H35ClN4O
IUPAC name	1-[3-[4-(6-tert-butyl-1H-benzimidazol-2-yl)-2-chlorophenoxy]propyl]-N,N-dimethylpyrrolidin-3-amine
Molecular weight	455.043
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.0
Synonyms	BDBM22559 2-arylbenzimidazole derivative, 5 CHEMBL376268 1-{3-[4-(5-tert-butyl-1H-1,3-benzodiazol-2-yl)-2-chlorophenoxy]propyl}-N,N-dimethylpyrrolidin-3-amine
Inchi Key	AADBANJKFIORNE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H35ClN4O/c1-26(2,3)19-8-9-22-23(16-19)29-25(28-22)18-7-10-24(21(27)15-18)32-14-6-12-31-13-11-20(17-31)30(4)5/h7-10,15-16,20H,6,11-14,17H2,1-5H3,(H,28,29)
PubChem CID	11751419
ChEMBL	CHEMBL376268
IUPHAR	N/A
BindingDB	22559
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
76	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390

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