APA
(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
| Created: | 1999-07-08 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 27 |
| Chiral Atom Count | 1 |
| Bond Count | 27 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid |
| Systematic Name (OpenEye OEToolkits) | (2S)-3-(4-carbamimidoylphenyl)-2-hydroxy-propanoic acid |
| Formula | C10 H12 N2 O3 |
| Molecular Weight | 208.214 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N |
| SMILES | CACTVS | 3.370 | NC(=N)c1ccc(C[CH](O)C(O)=O)cc1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CC(C(=O)O)O)C(=N)N |
| Canonical SMILES | CACTVS | 3.370 | NC(=N)c1ccc(C[C@H](O)C(O)=O)cc1 |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | FAFAPKBWTCDDJC-QMMMGPOBSA-N |
Drug Info: DrugBank
| DrugBank ID | DB02018 |
|---|---|
| Name | Amido Phenyl Pyruvic Acid |
| Groups | experimental |
| Synonyms | Amido Phenyl Pyruvic Acid |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Tryptase beta-2 | MLNLLLLALPVLASRAYAAPAPGQALQRVGIVGGQEAPRSKWPWQVSLRV... | 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 |
|---|---|
| PubChem | 23585800 |
