Structure of PDB 5jxq Chain A Binding Site BS02 |
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Ligand ID | 6OK |
InChI | InChI=1S/C19H20N6O2/c20-18-22-14-10-16-15(9-13(14)17(27)25-18)23-19(24-16)21-7-5-11-1-3-12(4-2-11)6-8-26/h1-4,9-10,26H,5-8H2,(H2,21,23,24)(H3,20,22,25,27) |
InChIKey | RGCYFFRYXJGABS-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.4 | c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO | CACTVS 3.385 | NC1=Nc2cc3nc(NCCc4ccc(CCO)cc4)[nH]c3cc2C(=O)N1 | ACDLabs 12.01 | c1c4c(cc2c1nc(n2)NCCc3ccc(cc3)CCO)N=C(NC4=O)N |
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Formula | C19 H20 N6 O2 |
Name | 6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
ChEMBL | CHEMBL4435900 |
DrugBank | |
ZINC | ZINC000584904832
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PDB chain | 5jxq Chain A Residue 405
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