Structure of PDB 6qux Chain B Binding Site BS02 |
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| Ligand ID | JJN |
| InChI | InChI=1S/C22H25N3O/c1-21(11-13-25(2)14-12-21)22-19(17-9-5-6-10-18(17)23-22)15-7-3-4-8-16(15)20(26)24-22/h3-10,19,23H,11-14H2,1-2H3,(H,24,26)/t19-,22+/m0/s1 |
| InChIKey | WUVGOCFGNZMOJI-SIKLNZKXSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CN1CCC(C)(CC1)[C]23NC(=O)c4ccccc4[CH]2c5ccccc5N3 | | OpenEye OEToolkits 2.0.7 | CC1(CCN(CC1)C)C23C(c4ccccc4C(=O)N2)c5ccccc5N3 | | OpenEye OEToolkits 2.0.7 | CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3 | | CACTVS 3.385 | CN1CCC(C)(CC1)[C@]23NC(=O)c4ccccc4[C@H]2c5ccccc5N3 |
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| Formula | C22 H25 N3 O |
| Name | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one |
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| PDB chain | 6qux Chain B Residue 205
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| Enzyme Commision number |
3.6.5.2: small monomeric GTPase. |
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