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	5S-HpETE
Molecular formula	C20H32O4
IUPAC name	(5S,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
Molecular weight	336.472
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.3
Synonyms	HMS1989I07 NCGC00161249-03 (5S,6E,8Z,11Z,14Z)-5-Hydroperoxyicosa-6,8,11,14-tetraenoate 5(S)-Hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoic acid 5-Hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoate BSPBio_001445 JNUUNUQHXIOFDA-JGKLHWIESA-N SR-01000946955-1 (6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoic acid 5(S)-Hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid 5S-hydroperoxy-6E,8Z,11Z,14Z-eicosatetraenoic acid CHEMBL1743204 HMS1361I07 NCGC00161249-01 (5s)-5-hydroperoxy-(e,z,z,z)-6,8,11,14-eicosatetraenoic acid 5-(S)-hydroperoxyeicosatetraenoic acid AC1NQXKH HMS3402I07 SCHEMBL1394974 (5S,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid 5(S)-hydroperoxy-6(E),8(Z),11(Z),14(Z)-eicosatetraenoic acid 5-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid C05356 LMFA03060012 ZINC8219830 (S)-5-HPETE 5(S)-Hydroperoxyeicosatetraenoic acid 6,8,11,14-Eicosatetraenoic acid, 5-hydroperoxy-, (S-(E,Z,Z,Z))- D0Q2LG HMS1791I07 NCGC00161249-02 (5S,6E,8Z,11Z,14Z)-5-hydroperoxyeicosa-6,8,11,14-tetraenoic acid 5(S)-HPETE 5-Hydroperoxy-6,8,11,14-eicosatetraenoic acid BML1-C04 IDI1_033915 SR-01000946955 (6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoate 5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoate CHEBI:15632 LS-63791 1436AH 5(S)-hydroxyperoxy-6E,8Z,11Z,14Z-icosatetraenoic acid 71774-08-8 GTPL2483 [ Show all ]
Inchi Key	JNUUNUQHXIOFDA-JGKLHWIESA-N
Inchi ID	InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
PubChem CID	5280778
ChEMBL	N/A
IUPHAR	2483
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
554048	Oxoeicosanoid receptor 1	Q8TDS5	OXER1	Homo sapiens (Human)	423

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