Detail Information of Xenobiotics-driven Alterations in 3D Complexes
| General Information of Drug Transporter (DT) | |||||
|---|---|---|---|---|---|
| DT ID | DTD0016 Transporter Info | ||||
| Gene Name | ABCC5 | ||||
| Transporter Name | Multidrug resistance-associated protein 5 | ||||
| Gene ID | |||||
| UniProt ID | |||||
| Xenobiotics-driven Alterations in 3D Complexes (XSV) of This DT | |||||
| Xenobiotic Name | Probenecid Drug Info | ||||
| Xenobiotic Type | Approved Drug | ||||
| MOA | Inhibition | ||||
| PubChem CID | 4911 | ||||
| Docking Score | -6.595 kcal/mol | ||||
| EFMDA Details | EFMDA Info | ||||
| Xenobiotic Details | |||||
| Formula | C13H19NO4S | ||||
| Molecular Weight | 285.36 | ||||
| Canonical SMILES |
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
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| InChI |
InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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| InChIKey | DBABZHXKTCFAPX-UHFFFAOYSA-N | ||||
| Pharmaceutical Properties | Xlogp | 3.2 | Rotatable Bond Count | 7 | |
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 5 | ||
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