Structure of PDB 1e92 Chain C Binding Site BS02 |
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Ligand ID | HBI |
InChI | InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1 |
InChIKey | FEMXZDUTFRTWPE-DZSWIPIPSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O | OpenEye OEToolkits 1.5.0 | C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O | CACTVS 3.341 | C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=O | ACDLabs 10.04 | O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N | CACTVS 3.341 | C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O |
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Formula | C9 H13 N5 O3 |
Name | 7,8-DIHYDROBIOPTERIN |
ChEMBL | |
DrugBank | DB04400 |
ZINC | ZINC000018181336
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PDB chain | 1e92 Chain C Residue 1290
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Catalytic site (original residue number in PDB) |
R17 D181 Y194 |
Catalytic site (residue number reindexed from 1) |
R12 D159 Y172 |
Enzyme Commision number |
1.5.1.33: pteridine reductase. |
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