Structure of PDB 6yk5 Chain A Binding Site BS01 |
|
|
|
| Ligand ID | PVK |
| InChI | InChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1 |
| InChIKey | IFUIGRBRINDTIJ-YFKPBYRVSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1C2=C(CO1)N(C(=O)NC2=O)CC(C(=O)O)N | | CACTVS 3.385 | N[C@@H](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O | | OpenEye OEToolkits 2.0.7 | C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N | | CACTVS 3.385 | N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O |
|
| Formula | C9 H11 N3 O5 |
| Name | (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione;
(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid |
| ChEMBL | CHEMBL4077177 |
| DrugBank | |
| ZINC |
|
| PDB chain | 6yk5 Chain A Residue 312
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Enzyme Commision number |
? |
|
|
|
|
|
zhanggroup.org