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	CHEMBL262889
Molecular formula	C36H46N4O4
IUPAC name	(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
Molecular weight	598.788
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.6
Synonyms	(E)-5-Amino-5-methyl-hex-2-enoic acid methyl-[(R)-1-(methyl-{(R)-2-phenyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-ethyl}-carbamoyl)-2-naphthalen-2-yl-ethyl]-amide BDBM50066822
Inchi Key	RZBXAFOFICUSBO-QBJYBSHMSA-N
Inchi ID	InChI=1S/C36H46N4O4/c1-36(2,37)20-10-17-33(41)39(3)32(24-27-18-19-28-14-8-9-15-29(28)22-27)35(43)40(4)31(23-26-12-6-5-7-13-26)34(42)38-25-30-16-11-21-44-30/h5-10,12-15,17-19,22,30-32H,11,16,20-21,23-25,37H2,1-4H3,(H,38,42)/b17-10+/t30?,31-,32-/m1/s1
PubChem CID	10675061
ChEMBL	CHEMBL262889
IUPHAR	N/A
BindingDB	N/A
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
308562	Growth hormone secretagogue receptor type 1	O08725	Ghsr	Rattus norvegicus (Rat)	364
308563	Growth hormone secretagogue receptor type 1	Q92847	GHSR	Homo sapiens (Human)	366

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