I84
[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
Find entries where: I84
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
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Name | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE |
Synonyms | INHIBITOR IDD 384 |
Identifiers | 2-[[2,6-dimethyl-4-[2-(2-methylphenyl)ethanoylamino]phenyl]sulfonylamino]ethanoic acid |
Formula | C19 H22 N2 O5 S |
Molecular Weight | 390.453 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C |
InChI | InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24) |
InChIKey | CJKKMQCZOLCXAM-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 49 |
Chiral Atom Count | 0 |
Bond Count | 50 |
Aromatic Bond Count | 12 |
Drug Info: DrugBank
DrugBank ID | DB01689? |
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Name | Inhibitor Idd 384 |
Groups | experimental |
Synonyms | Inhibitor Idd 384 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
Aldose reductase | MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQ... | 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 | CHEMBL240719 |
PubChem | 1944 |
ChEMBL | CHEMBL240719 |