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	CHEMBL483251
Molecular formula	C19H15Cl2N3O2
IUPAC name	1'-(5,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
Molecular weight	388.248
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.7
Synonyms	1''-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one BDBM50264726
Inchi Key	GHPUUPNFOOAKIE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15Cl2N3O2/c20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-4,9-10H,5-8H2,(H,22,23)
PubChem CID	44580050
ChEMBL	CHEMBL483251
IUPHAR	N/A
BindingDB	50264726
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
96696	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
96694	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
96697	Neuropeptide Y receptor type 4	P50391	NPY4R	Homo sapiens (Human)	375
96695	Neuropeptide Y receptor type 5	Q15761	NPY5R	Homo sapiens (Human)	445

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