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	Pentiapine
Molecular formula	C15H17N5S
IUPAC name	5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
Molecular weight	299.396
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.5
Synonyms	5-(4-methylpiperazino]-imidazo[2,1-b][1,3,5]benzothiadiazepine CGS10746B AC1L1HNO DTXSID60231075 RAP39VD6P5 5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine CAS_81382-52-7 PDSP1_001664 81382-51-6 CHEMBL2105337 PENTIAPINE MALEATE AC1Q4UZO FACMWMBWGSPRKO-UHFFFAOYSA-N SCHEMBL10982884 5-(4-methylpiperazino)-imidazo[2,1-b][1,3,5]benzothiadiazepine CGS-10746B PDSP2_001648 CS-0018131 Pentiapine [INN] BDBM81802 HY-100143 UNII-RAP39VD6P5 [ Show all ]
Inchi Key	FACMWMBWGSPRKO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17N5S/c1-18-8-10-19(11-9-18)14-17-12-4-2-3-5-13(12)21-15-16-6-7-20(14)15/h2-7H,8-11H2,1H3
PubChem CID	54742
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81802
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
73287	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
73288	Alpha-2B adrenergic receptor	P19328	Adra2b	Rattus norvegicus (Rat)	453

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