Structure of PDB 6yh3 Chain A Binding Site BS02 |
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| Ligand ID | OQN |
| InChI | InChI=1S/C18H18N6O/c1-20-18-21-13-9-12-14(22-17(19)24-16(12)25)11(15(13)23-18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,20,21,23)(H3,19,22,24,25) |
| InChIKey | WJCDAOMLVZDAIC-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4cc2n1 | | OpenEye OEToolkits 2.0.7 | CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N |
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| Formula | C18 H18 N6 O |
| Name | 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
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| PDB chain | 6yh3 Chain A Residue 402
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