Structure of PDB 1uhh Chain A Binding Site BS01 |
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| Ligand ID | CZP |
| InChI | InChI=1S/C25H27N3O5/c29-19-9-5-17(6-10-19)14-25(33-32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21-,25-/m0/s1 |
| InChIKey | XOSFCMOTHZJUQK-OFVILXPXSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | OO[C@]1(Cc2ccc(O)cc2)N=C3[C@H](CC4CCCC4)NC(=CN3C1=O)c5ccc(O)cc5 | | ACDLabs 10.04 | O=C1N3C=C(NC(C3=NC1(OO)Cc2ccc(O)cc2)CC4CCCC4)c5ccc(O)cc5 | | CACTVS 3.341 | OO[C]1(Cc2ccc(O)cc2)N=C3[CH](CC4CCCC4)NC(=CN3C1=O)c5ccc(O)cc5 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1CC2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O |
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| Formula | C25 H27 N3 O5 |
| Name | (8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H) -ONE;
CP-COELENETERAZINE |
| ChEMBL | |
| DrugBank | DB03960 |
| ZINC | ZINC000103537804
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| PDB chain | 1uhh Chain A Residue 1001
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