Target Binding Site Detail
Target General Information | Top | ||||
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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 | ||||
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Ligand Name | (4-Sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-YL-ethyl) ester | Ligand Info | |||
Canonical SMILES | C1=CC(=CC=C1NC(=S)OCCC2=CSC=C2)S(=O)(=O)N | ||||
InChI | 1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17) | ||||
InChIKey | NXMUSVRWCFYOTJ-UHFFFAOYSA-N | ||||
PubChem Compound ID | 17754181 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 3K34 Human carbonic anhydrase II with a sulfonamide inhibitor | ||||||
Method | X-ray diffraction | Resolution | 0.90 Å | Mutation | No | [1] |
PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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PDB ID: 1LUG Full Matrix Error Analysis of Carbonic Anhydrase | ||||||
Method | X-ray diffraction | Resolution | 0.95 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 | ||||
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REF 1 | Atomic resolution studies of carbonic anhydrase II. Acta Crystallogr D Biol Crystallogr. 2010 May;66(Pt 5):616-27. |
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