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BioLiP

PDB CCD ID: MTQ
Number of entries in BioLiP: 6
Chemical formula: C10 H8 Mo N5 O8 P S2
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1=C2C(=C3C(O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O
ACDLabs 10.04O=C2N=C(N=C3NC4OC(=C1S[Mo](=O)(=O)SC1=C4N=C23)COP(=O)(O)O)N
OpenEye OEToolkits 1.5.0C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O
CACTVS 3.341NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O[C@H]3NC2=N1
CACTVS 3.341NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O[CH]3NC2=N1
Name:(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(VI)
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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