Zhang Lab

National University of Singapore

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

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	4-Chloro-2-(2-imidazolin-2-ylamino)isoindoline
Molecular formula	C11H13ClN4
IUPAC name	4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine
Molecular weight	236.703
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.0
Synonyms	AC1L2YWU PDSP1_001653 BDF6143 ZINC6093764 76727-72-5 CTK5E3355 2H-Isoindol-2-amine,4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydro-, hydrochloride (1:1) BDBM50179397 PDSP2_001637 4-Chloro-2-[(2-imidazolin-2-yl)amino]isoindoline CAS_76727-72-5 KB-241136 4-chloro-2-(2-imidazolin-2-ylamino)-isoindoline BDBM81804 SCHEMBL8091334 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine CHEMBL1162356 [ Show all ]
Inchi Key	OYLPBTPLAUXYTB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H13ClN4/c12-10-3-1-2-8-6-16(7-9(8)10)15-11-13-4-5-14-11/h1-3H,4-7H2,(H2,13,14,15)
PubChem CID	131284
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81804
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
253356	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
253357	Alpha-2B adrenergic receptor	P19328	Adra2b	Rattus norvegicus (Rat)	453

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417