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	CHEMBL404354
Molecular formula	C22H35N7O5
IUPAC name	2-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]tetrazol-1-yl]ethyl N-(4-hydroxybutyl)carbamate
Molecular weight	477.566
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	-0.2
Synonyms	BDBM50235849 (4-hydroxy-butyl)-carbamic acid 2-{5-[(S)-1-(2-amino-2-methyl-propionylamino)-2-(2-methyl-benzyloxy)-ethyl]-tetrazol-1-yl}-ethyl ester
Inchi Key	AXABYTPCUMEGOG-GOSISDBHSA-N
Inchi ID	InChI=1S/C22H35N7O5/c1-16-8-4-5-9-17(16)14-33-15-18(25-20(31)22(2,3)23)19-26-27-28-29(19)11-13-34-21(32)24-10-6-7-12-30/h4-5,8-9,18,30H,6-7,10-15,23H2,1-3H3,(H,24,32)(H,25,31)/t18-/m1/s1
PubChem CID	44447852
ChEMBL	CHEMBL404354
IUPHAR	N/A
BindingDB	50235849
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
16490	Growth hormone secretagogue receptor type 1	Q92847	GHSR	Homo sapiens (Human)	366

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