Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●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 ●TCRfinder

●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 ●DeepMSA2 ●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	CHEMBL114027
Molecular formula	C10H24NO4P
IUPAC name	3-aminopropyl(dipropoxymethyl)phosphinic acid
Molecular weight	253.279
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	-2.2
Synonyms	3-aminopropyl(di-n-propyloxymethyl)phosphinic acid 123691-24-7 QQACCNCDFJQPCM-UHFFFAOYSA-N (3-Amino-propyl)-dipropoxymethyl-phosphinic acid 3-aminopropyl(di-n-propyloxymethyl) phosphinic acid SCHEMBL6360402 BDBM50032986 (Dipropoxymethyl)(3-aminopropyl)phosphinic acid Phosphinic acid, (3-aminopropyl)(dipropoxymethyl)- [ Show all ]
Inchi Key	QQACCNCDFJQPCM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H24NO4P/c1-3-7-14-10(15-8-4-2)16(12,13)9-5-6-11/h10H,3-9,11H2,1-2H3,(H,12,13)
PubChem CID	9856380
ChEMBL	CHEMBL114027
IUPHAR	N/A
BindingDB	50032986
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
284171	Gamma-aminobutyric acid type B receptor subunit 1	Q9Z0U4	Gabbr1	Rattus norvegicus (Rat)	991

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