Structure of PDB 1ogp Chain B Binding Site BS01 |
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| Ligand ID | MTQ |
| InChI | InChI=1S/C10H10N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h9,23-24H,1H2,(H2,17,18,19)(H3,11,13,14,15,16);;;/q;+2;;/p-2/t9-;;;/m1.../s1 |
| InChIKey | IXNYCVJPVGNGQC-NRYJBHHQSA-L |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C(C1=C2C(=C3C(O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O | | ACDLabs 10.04 | O=C2N=C(N=C3NC4OC(=C1S[Mo](=O)(=O)SC1=C4N=C23)COP(=O)(O)O)N | | OpenEye OEToolkits 1.5.0 | C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O | | CACTVS 3.341 | NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O[C@H]3NC2=N1 | | CACTVS 3.341 | NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O[CH]3NC2=N1 |
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| Formula | C10 H8 Mo N5 O8 P S2 |
| Name | (MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(VI) |
| ChEMBL | |
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| PDB chain | 1ogp Chain B Residue 1394
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