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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 | CHEMBL1160031 FT-0699643 Reactive blue 2 (C.I. 61211) 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- [ 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 | |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
554072 | P2Y purinoceptor 11 | Q96G91 | P2RY11 | Homo sapiens (Human) | 374 |
554070 | P2Y purinoceptor 13 | Q9BPV8 | P2RY13 | Homo sapiens (Human) | 354 |
554073 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
554069 | P2Y purinoceptor 4 | O35811 | P2ry4 | Rattus norvegicus (Rat) | 361 |
554071 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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