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	BDBM50142655
Molecular formula	C32H45N5O4
IUPAC name	2-[4-[[4-[4-[[butyl(methylcarbamoyl)amino]methyl]phenyl]phenyl]methyl]-5-hydroxy-3-methyl-2-oxoimidazol-1-yl]-N-hexylacetamide
Molecular weight	563.743
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.0
Synonyms	2-{4-[4''-(1-Butyl-3-methyl-ureidomethyl)-biphenyl-4-ylmethyl]-3-methyl-2,5-dioxo-imidazolidin-1-yl}-N-hexyl-acetamide
Inchi Key	FCLYDGDDWLGMHU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H45N5O4/c1-5-7-9-10-19-34-29(38)23-37-30(39)28(35(4)32(37)41)21-24-11-15-26(16-12-24)27-17-13-25(14-18-27)22-36(20-8-6-2)31(40)33-3/h11-18,39H,5-10,19-23H2,1-4H3,(H,33,40)(H,34,38)
PubChem CID	91932872
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50142655
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
520031	Follicle-stimulating hormone receptor	P23945	FSHR	Homo sapiens (Human)	695

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