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	L-NASPA
Molecular formula	C19H38NO7P
IUPAC name	(2S)-2-(hexadecanoylamino)-3-phosphonooxypropanoic acid
Molecular weight	423.487
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	4.7
Synonyms	BDBM50170848 CHEMBL190328 L-NASPA, >=98% (TLC), powder NCGC00161387-04 (2S)-2-(hexadecanoylamino)-3-phosphonooxypropanoic acid Bio1_001093 HMS1791E22 N-palmitoyl-O-phospho-l-serine ZINC8860531 CBiol_001829 J-009258 NCGC00161387-02 Bio1_000115 CTK8E7794 MFCD02684035 RT-013531 155915-46-1 BML3-F06 HMS1989E22 N-Palmitoylserine phosphate AC1O7M0B NCGC00161387-03 Bio1_000604 DTXSID70425009 N-Palmitoyl-L-serine phosphoric acid SCHEMBL2116942 2-Hexadecanoylamino-3-phosphonooxy-propionic acid BSPBio_001380 HMS3402E22 NCGC00161387-01 [ Show all ]
Inchi Key	HSMUPNYJCMYKJH-KRWDZBQOSA-N
Inchi ID	InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)20-17(19(22)23)16-27-28(24,25)26/h17H,2-16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/t17-/m0/s1
PubChem CID	6610239
ChEMBL	CHEMBL190328
IUPHAR	N/A
BindingDB	50170848
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
122947	Lysophosphatidic acid receptor 1	Q92633	LPAR1	Homo sapiens (Human)	364
122948	Lysophosphatidic acid receptor 3	Q9UBY5	LPAR3	Homo sapiens (Human)	353

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