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	CHEMBL1779411
Molecular formula	C32H30ClN3O6S
IUPAC name	(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxypyridin-3-yl)-3-(2-phenylpyrrolidin-1-yl)indol-2-one
Molecular weight	620.117
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	5.6
Synonyms	BDBM50345148 (+/-)-(3R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxypyridin-3-yl)-3-(2-phenylpyrrolidin-1-yl)indolin-2-one
Inchi Key	AFZAVVBREFXQLX-AKWYTYQQSA-N
Inchi ID	InChI=1S/C32H30ClN3O6S/c1-40-23-14-16-29(28(20-23)41-2)43(38,39)36-27-15-13-22(33)19-25(27)32(31(36)37,24-11-7-17-34-30(24)42-3)35-18-8-12-26(35)21-9-5-4-6-10-21/h4-7,9-11,13-17,19-20,26H,8,12,18H2,1-3H3/t26?,32-/m0/s1
PubChem CID	54580517
ChEMBL	CHEMBL1779411
IUPHAR	N/A
BindingDB	50345148
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
4644	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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