|
| Ligand ID | RR1 |
| InChI | InChI=1S/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-26+ |
| InChIKey | LOCFSBZWHQIILX-CYYJNZCTSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | | ACDLabs 10.04 | O=S(=O)(O)c4ccccc4/N=N/c2c(O)c1c(cc(cc1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3nc(nc(n3)N)N | | OpenEye OEToolkits 1.5.0 | c1ccc(c(c1)N=Nc2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | | CACTVS 3.341 | Nc1nc(N)nc(Nc2cc(cc3cc(c(N=Nc4ccccc4[S](O)(=O)=O)c(O)c23)[S](O)(=O)=O)[S](O)(=O)=O)n1 |
|
| Formula | C19 H16 N8 O10 S3 |
| Name | 5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLAMINO)-4-HYDROXY-3-(2-SULFO-PHENYLAZO)-NAPHTHALENE-2,7-DISULFONIC ACID;
REACTIVE RED 1 DYE |
| ChEMBL | |
| DrugBank | DB03474 |
| ZINC | ZINC000014880776
|
| PDB chain | 1i3u Chain A Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
