Chemical Component Summary | |
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Name | CIBACRON BLUE |
Identifiers | 1-amino-4-[[4-[[4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-dioxo-anthracene-2-sulfonic acid |
Formula | C29 H20 Cl N7 O11 S3 |
Molecular Weight | 774.157 |
Type | NON-POLYMER |
Isomeric SMILES | c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O |
InChI | InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)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) |
InChIKey | YKCWQPZFAFZLBI-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 71 |
Chiral Atom Count | 0 |
Bond Count | 76 |
Aromatic Bond Count | 30 |
Drug Info: DrugBank
DrugBank ID | DB02633 |
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Name | Cibacron Blue |
Groups | experimental |
Synonyms | Cibacron Blue |
CAS number | 84166-13-2 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
NAD(P)H dehydrogenase [quinone] 1 | MVGRRALIVLAHSERTSFNYAMKEAAAAALKKKGWEVVESDLYAMNFNPI... | unknown | |
Glutathione S-transferase P | MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLY... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL572528 |
PubChem | 172469, 136700241 |
ChEMBL | CHEMBL572528 |