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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	C-C chemokine receptor type 6
Species	Homo sapiens (Human)
Gene	CCR6
Synonym	DRY6 G-protein coupled receptor 29 GPR-CY4 GPR29 GPRCY4 LARC receptor DRY-6 DCCR2 CKR-L3 Chemokine receptor-like 3 CD196 CCR6 CCR-6 CC-CKR-6 C-C CKR-6 STRL22 [ Show all ]
Disease	N/A
Length	374
Amino acid sequence	MSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFGFFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGKMNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM
UniProt	P51684
Protein Data Bank	N/A
GPCR-HGmod model	P51684
3D structure model	This predicted structure model is from GPCR-EXP P51684.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4423
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	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-Erythro-spinghosine (2S,3R)-2-aminooctadec-4-ene-1,3-diol 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) D-Sphingosine synthetic (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-ene-1-ol ZINC8195650 (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-erythro-Sphingosine, 99+%, synthetical (2S,3R)-(E)-2-amino-1,3-dihydroxy-4-octadecene D-Sphingosine, synthetic 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 D-erythrosphingosine (2S,3R)-Sphingosine 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 D-Sphingosine, >=98.0% (TLC) (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol (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-erythro-Sphingosine, Free Base, High Purity (2S,3R)-2-Amino-4-octadecene-1,3-diol D0L0YG 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 D-Sphingosine (2S,3R,4E)-2-amino-1,3-octadec-4-enediol (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) (-)-Sphingosine D-Sphingosine, from bovine brain, ~99% (TLC) [ 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	20900.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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