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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	P2Y purinoceptor 13
Species	Homo sapiens (Human)
Gene	P2RY13
Synonym	G-protein coupled receptor 86 purinergic receptor P2Y, G-protein coupled 13 purinergic receptor P2Y P2Y13 receptor P2Y13 G protein-coupled receptor 86 GPR94 G-protein coupled receptor 94 P2Y purinoceptor 13 [ Show all ]
Disease	N/A
Length	354
Amino acid sequence	MTAAIRRQRELSILPKVTLEAMNTTVMQGFNRSERCPRDTRIVQLVFPALYTVVFLTGILLNTLALWVFVHIPSSSTFIIYLKNTLVADLIMTLMLPFKILSDSHLAPWQLRAFVCRFSSVIFYETMYVGIVLLGLIAFDRFLKIIRPLRNIFLKKPVFAKTVSIFIWFFLFFISLPNTILSNKEATPSSVKKCASLKGPLGLKWHQMVNNICQFIFWTVFILMLVFYVVIAKKVYDSYRKSKSKDRKNNKKLEGKVFVVVAVFFVCFAPFHFARVPYTHSQTNNKTDCRLQNQLFIAKETTLFLAATNICMDPLIYIFLCKKFTEKLPCMQGRKTTASSQENHSSQTDNITLG
UniProt	Q9BPV8
Protein Data Bank	N/A
GPCR-HGmod model	Q9BPV8
3D structure model	This predicted structure model is from GPCR-EXP Q9BPV8.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	329
DrugBank	N/A

Ligand

Name	Affi gel blue
Molecular formula	C29H20ClN7O11S3
IUPAC name	1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
Molecular weight	774.147
Hydrogen bond acceptor	18
Hydrogen bond donor	7
XlogP	4.4
Synonyms	1-amino-4-(4-(4-chloro-6-(3-sulfophenylamino)-1,3,5-triazin-2-ylamino)-3-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo- AC1LCVHE CHEBI:34946 EINECS 235-465-0 Procion Blue H-B 1-AMINO-4-[[4-[[4-CHLORO-6-[(3-SULFOPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL]A MINO]-3-SULFO-PHENYL]AMINO]-9,10-DIOXO-ANTHRACENE-2-SULFONIC ACID 2-Anthraquinonesulfonic acid, 1-amino-4-(4-((4-chloro-6-m-sulfoanilino-S-triazin-2-yl)amino)-3-sulfoanilino)- Basilen Blue Cibacron Blue F 3GA GTPL1739 SCHEMBL1638291 1-amino-4-((4-((4-chloro-6-((sulfophenyl)amino)- 1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)- 9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid 79241-87-5 C.I. Reactive Blue 2 CTK4F8482 LS-172530 UNII-J0A052J6QF 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid 2-Anthracenesulfonic acid, 1-amino-4-(4-((4-chloro-6-(sulfoanilino)-s-triazin-2-yl)amino)-3-sulfoanilino)-9,10-dihydro-9,10-dioxo- CHEMBL1160031 FT-0699643 Reactive blue 2 (C.I. 61211) 1-Amino-4-((4-((4-chloro-6-((3(or4)-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid 1-amino-4-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dioxoanthracene-2-sulfonic acid 26763-68-8 BDBM50179359 Cibacron Blue F(3)GA J0A052J6QF T654 1-Amino-4-((4-((4-chloro-6-((sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-chloro-6-((3(or 4)-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo- 802902-10-9 C13746 D06GJP NSC 328383 ZINC8295160 1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid 2-Anthracenesulfonic acid, 1-amino-4-(4-((4-chloro-6-(sulfoanilino)-s-triazin-2-yl)amino)-3-sulfoanilino)-9,10-dihydro-9,10-dioxo- (8CI) Affi-gel blue Cibacron Blue 3G FT-0699654 Reactive Blue-2 1-Amino-4-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid 12237-92-2 778536-90-6 C.I. 61211 Cibacronblau F3G-A L000507 UNII-5DV0L8V99J component JQYMGXZJTCOARG-UHFFFAOYSA-N [ Show all ]
Inchi Key	JQYMGXZJTCOARG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)
PubChem CID	656725
ChEMBL	N/A
IUPHAR	1739
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1995.26 nM	PMID12815166	IUPHAR

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