Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T20401 | Target Info | |||
| Target Name | Carbonic anhydrase II (CA-II) | ||||
| Synonyms | Carbonic anhydrase C; Carbonic anhydrase 2; Carbonate dehydratase II; CAC | ||||
| Target Type | Successful Target | ||||
| Gene Name | CA2 | ||||
| Biochemical Class | Alpha-carbonic anhydrase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 8-Azanyl-4-(2-Methylpropoxy)quinoline-2-Carboxylic Acid | Ligand Info | |||
| Canonical SMILES | CC(C)COC1=CC(=NC2=C1C=CC=C2N)C(=O)O | ||||
| InChI | 1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18) | ||||
| InChIKey | UQMUZAYVJKDBFB-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 86002223 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5L6K Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LLECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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| PDB ID: 5LVS Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | ||||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [1] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LLECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J Am Chem Soc. 2017 Mar 1;139(8):2928-2931. | ||||
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