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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	C-X-C chemokine receptor type 5
Species	Homo sapiens (Human)
Gene	CXCR5
Synonym	BLR-1 NLR neurolymphatic receptor Monocyte-derived receptor 15 MDR15 MDR-15 Gpcr6 CXCR5 CXCR-5 CXC-R5 CD185 Burkitt lymphoma receptor 1 [ Show all ]
Disease	Systemic lupus erythematosus
Length	372
Amino acid sequence	MNYPLTLEMDLENLEDLFWELDRLDNYNDTSLVENHLCPATEGPLMASFKAVFVPVAYSLIFLLGVIGNVLVLVILERHRQTRSSTETFLFHLAVADLLLVFILPFAVAEGSVGWVLGTFLCKTVIALHKVNFYCSSLLLACIAVDRYLAIVHAVHAYRHRRLLSIHITCGTIWLVGFLLALPEILFAKVSQGHHNNSLPRCTFSQENQAETHAWFTSRFLYHVAGFLLPMLVMGWCYVGVVHRLRQAQRRPQRQKAVRVAILVTSIFFLCWSPYHIVIFLDTLARLKAVDNTCKLNGSLPVAITMCEFLGLAHCCLNPMLYTFAGVKFRSDLSRLLTKLGCTGPASLCQLFPSWRRSSLSESENATSLTTF
UniProt	P32302
Protein Data Bank	N/A
GPCR-HGmod model	P32302
3D structure model	This predicted structure model is from GPCR-EXP P32302.
BioLiP	N/A
Therapeutic Target Database	T09528
ChEMBL	CHEMBL1075315
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	sphingosine
Molecular formula	C18H37NO2
IUPAC name	(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol
Molecular weight	299.499
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	5.3
Synonyms	D-erythro-Sphingosine, 99+%, synthetical (2S,3R)-(E)-2-amino-1,3-dihydroxy-4-octadecene D-Sphingosine, synthetic (2S,3R,E)-2-Amino-4-octadecene-1,3-diol EI-155 (E,2S,3R)-2-azanyloctadec-4-ene-1,3-diol GTPL2452 4-octadecene-1,3-diol, 2-amino-, (2S,3R,4E)- IDI1_033996 4-Octadecene-1,3-diol, 2-amino-, [R-[R,S-(E)]]- MLS002172450 AKOS024458590 NGZ37HRE42 bmse000850 Sphingenine CCG-100638 Sphingosine with C18 chain CS-0020759 WWUZIQQURGPMPG-KRWOKUGFSA-N D-erythrosphingosine (2S,3R)-Sphingosine DB03203 (4E)-Sphingenine erythro-C18-Sphingosine 2-amino-4-octadecene-1,3-diol HMS1989M08 4-Octadecene-1,3-diol, 2-amino-, (E)-dl-erythro- Lopac0_001049 4-trans-Sphingenine NCGC00024697-03 BDBM83205 SCHEMBL19398 BSPBio_001526 CHEBI:16393 SR-01000597656-1 D-erythro-C18-Sphingosine ZINC8195650 (-)-D-erythro-Sphingosine D-Sphingosine, >=98.0% (TLC) (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol E66DE871-3B37-406A-891B-A804BDC7ABF9 (E,2S,3R)-2-amino-4-octadecene-1,3-diol Erythrosphingosine 2S-Amino-4E-octadecene-1,3R-diol HMS3650M05 4-Octadecene-1,3-diol, 2-amino-, (R-(R,S-(E))) MLS001332469 AC-28329 NCGC00024697-06 BMK1-D10 Sph(d18:1) c18-erythro-sphingenine Sphingosine 2S, 3R CHEMBL67166 UNII-0Y6SVQ612Q component WWUZIQQURGPMPG-KRWOKUGFSA-N D-erythro-Sphingosine (Egg, Chicken) D-erythro-Sphingosine, Free Base, High Purity (2S,3R)-2-Amino-4-octadecene-1,3-diol D0L0YG (2S,3R,E)-2-aminooctadec-4-ene-1,3-diol EINECS 204-651-3 123-78-4 HMS1361M08 4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)- (9CI) J-004983 4-Octadecene-1,3-diol,2-amino-, (2S,3R,4E)- MolPort-003-850-275 B6385 S0874 Brain Sphingosine Sphingoid CCRIS 6899 SQS D-(+)-erytho-4-trans-Sphingenine D-Sphingosine (2S,3R,4E)-2-amino-1,3-octadec-4-enediol DErySphingosine (E)-2-Amino-4-octadecan-1,3-diol Erythro-dl-sphingosine 2-Aminooctadec-4-ene-1,3-diol HMS2232M04 4-Octadecene-1,3-diol, 2-amino-, (R,S-(E))- MFCD00036751 475662-41-0 NCGC00024697-04 BiomolKI2_000042 SMR000857107 C00319 Sphingosine (d18:1) CHEBI:26743 trans-4-Sphingenine D-erythro-Sphingosine (-)-Sphingosine D-Sphingosine, from bovine brain, ~99% (TLC) (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol Egg Sphingosine (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol EX-A1428 4-Octadecene-1,3-diol, 2-amino-, (2R,3S,4E)-rel- HY-101047 4-Octadecene-1,3-diol, 2-amino-, (R-(R,S-(E)))- MLS001332470 AC1NQWWW NCGC00024697-07 BML3-C09 Sphing-4-enine C18-Sphingosine Sphingosine d18:1 cid_5280335 UNII-NGZ37HRE42 D-erythro-Sphingosine (synthetic) D-Erythro-spinghosine (2S,3R)-2-aminooctadec-4-ene-1,3-diol d18:1 D-erythro-sphingosine (4E)-sphing-4-enine erythro-4-Sphingenine 1711AH HMS1791M08 4-Octadecene-1,3-diol, 2-amino-, (E)-D-erythro- (8CI) LMSP01010001 4-Sphingenine NCGC00024697-02 BCP24874 SCHEMBL1471985 Brain Sphingosine, D-erythro-Sphingosine (Brain, Porcine), powder sphingosin cerebroside SR-01000597656 D-(+)-erythro-1,3-dihydroxy-2-amino-4-trans-octadecene D-Sphingosine synthetic (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-ene-1-ol dl-Erythro-sphingosine (E)-D-erythro-4-octadecene-1,3-diol Erythro-sphingosine, (+)- 2733-29-1 HMS3402M08 4-Octadecene-1,3-diol, 2-amino-, (R,S-(E))-(+)- MLS-0412588.0001 NCGC00024697-05 BiomolKI_000034 SPH C18 sphingosine Sphingosine (d18:1), D-erythro-sphingosine, powder trans-D-erythro-2-Amino-4-octadecene-1,3-diol D-erythro-Sphingosine (Brain, Porcine) [ Show all ]
Inchi Key	WWUZIQQURGPMPG-KRWOKUGFSA-N
Inchi ID	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
PubChem CID	5280335
ChEMBL	CHEMBL67166
IUPHAR	N/A
BindingDB	83205
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	32494.0 nM	PubChem BioAssay data set	ChEMBL

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