Structure of PDB 1d0y Chain A Binding Site BS02 |
>1d0y Chain A (length=741) Species: 44689 (Dictyostelium discoideum)
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NPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECGE IVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPA VFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEV APHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAG RNGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNNAGFISGA SIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNY LNQSGCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGN IKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVA QHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDIS GFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINLDSQAT IDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPRF SKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLFN DPNIASRAFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAKLE DKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNVPRDAED SQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEARE |
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Ligand ID | ONP |
InChI | InChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-4-2-1-3-7(8)9-5-6-18-21(16,17)19-20(13,14)15;;;;/h1-4,9H,5-6H2,(H,16,17)(H2,13,14,15);;3*1H/q;+3;;;/p-4 |
InChIKey | REAYVLUAJKGPLT-UHFFFAOYSA-J |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | [Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F | CACTVS 3.341 | O[P](=O)(OCCNc1ccccc1[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F | CACTVS 3.341 | O[P@](=O)(OCCNc1ccccc1[N+]([O-])=O)O[P@@](O)(=O)O[Be-](F)(F)F | OpenEye OEToolkits 1.5.0 | [Be-](OP(=O)(O)OP(=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F |
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Formula | C8 H11 Be F3 N2 O9 P2 |
Name | O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 1d0y Chain A Residue 999
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