Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86918 | Target Info | |||
| Target Name | Pancreatic alpha-amylase (AMY2A) | ||||
| Synonyms | PA; 1,4-alpha-D-glucan glucanohydrolase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | AMY2A | ||||
| Biochemical Class | Glycosylase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | D-Gluconhydroximo-1,5-Lactam | Ligand Info | |||
| Canonical SMILES | C(C1C(C(C(C(=N1)NO)O)O)O)O | ||||
| InChI | 1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1 | ||||
| InChIKey | VBXHGXTYZGYTQG-SQOUGZDYSA-N | ||||
| PubChem Compound ID | 445248 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1U30 In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing maltosyl-alpha (1,4)-D-gluconhydroximo-1,5-lactam | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
YSPNTQQGRT
11 SIVHLFEWRW21 VDIALECERY31 LAPKGFGGVQ41 VSPPNENVAI51 YNPFRPWWER 61 YQPVSYKLCT71 RSGNEDEFRN81 MVTRCNNVGV91 RIYVDAVINH101 MCGNAVSAGT 111 SSTCGSYFNP121 GSRDFPAVPY131 SGWDFNDGKC141 KTGSGDIENY151 NDATQVRDCR 161 LTGLLDLALE171 KDYVRSKIAE181 YMNHLIDIGV191 AGFRLDASKH201 MWPGDIKAIL 211 DKLHNLNSNW221 FPAGSKPFIY231 QEVIDLGGEP241 IKSSDYFGNG251 RVTEFKYGAK 261 LGTVIRKWNG271 EKMSYLKNWG281 EGWGFVPSDR291 ALVFVDNHDN301 QRGHGAGGAS 311 ILTFWDARLY321 KMAVGFMLAH331 PYGFTRVMSS341 YRWPRQFQNG351 NDVNDWVGPP 361 NNNGVIKEVT371 INPDTTCGND381 WVCEHRWRQI391 RNMVIFRNVV401 DGQPFTNWYD 411 NGSNQVAFGR421 GNRGFIVFNN431 DDWSFSLTLQ441 TGLPAGTYCD451 VISGDKINGN 461 CTGIKIYVSD471 DGKAHFSISN481 SAEDPFIAIH491 AESKL
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| PDB ID: 1U2Y In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing D-gluconhydroximo-1,5-lactam | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
YSPNTQQGRT
11 SIVHLFEWRW21 VDIALECERY31 LAPKGFGGVQ41 VSPPNENVAI51 YNPFRPWWER 61 YQPVSYKLCT71 RSGNEDEFRN81 MVTRCNNVGV91 RIYVDAVINH101 MCGNAVSAGT 111 SSTCGSYFNP121 GSRDFPAVPY131 SGWDFNDGKC141 KTGSGDIENY151 NDATQVRDCR 161 LTGLLDLALE171 KDYVRSKIAE181 YMNHLIDIGV191 AGFRLDASKH201 MWPGDIKAIL 211 DKLHNLNSNW221 FPAGSKPFIY231 QEVIDLGGEP241 IKSSDYFGNG251 RVTEFKYGAK 261 LGTVIRKWNG271 EKMSYLKNWG281 EGWGFVPSDR291 ALVFVDNHDN301 QRGHGAGGAS 311 ILTFWDARLY321 KMAVGFMLAH331 PYGFTRVMSS341 YRWPRQFQNG351 NDVNDWVGPP 361 NNNGVIKEVT371 INPDTTCGND381 WVCEHRWRQI391 RNMVIFRNVV401 DGQPFTNWYD 411 NGSNQVAFGR421 GNRGFIVFNN431 DDWSFSLTLQ441 TGLPAGTYCD451 VISGDKINGN 461 CTGIKIYVSD471 DGKAHFSISN481 SAEDPFIAIH491 AESKL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | In situ extension as an approach for identifying novel alpha-amylase inhibitors. J Biol Chem. 2004 Nov 12;279(46):48282-91. | ||||
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