Structure of PDB 9nse Chain A Binding Site BS05 |
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Ligand ID | H4B |
InChI | InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1 |
InChIKey | FNKQXYHWGSIFBK-RPDRRWSUSA-N |
SMILES | Software | SMILES |
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ACDLabs 10.04 | O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C | OpenEye OEToolkits 1.5.0 | CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O | OpenEye OEToolkits 1.5.0 | C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O | CACTVS 3.341 | C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(=N2)N | CACTVS 3.341 | C[CH](O)[CH](O)[CH]1CNC2=C(N1)C(=O)NC(=N2)N |
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Formula | C9 H15 N5 O3 |
Name | 5,6,7,8-TETRAHYDROBIOPTERIN |
ChEMBL | CHEMBL1201774 |
DrugBank | DB00360 |
ZINC | ZINC000013585233
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PDB chain | 9nse Chain B Residue 601
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