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BioLiP

PDB CCD ID: MK7
Number of entries in BioLiP: 9
Chemical formula: C12 H22 N4 O6 S
InChI: InChI=1S/C12H22N4O6S/c17-8-16-7-10(15-22-23(19,20)21)1-2-11(16)12(18)14-9-3-5-13-6-4-9/h8-11,13,15H,1-7H2,(H,14,18)(H,19,20,21)/t10-,11+/m1/s1
InChIKey: VGHMECNLFQGIJM-MNOVXSKESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2
CACTVS 3.385O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NC2CCNCC2
ACDLabs 12.01O=CN2C(C(=O)NC1CCNCC1)CCC(NOS(=O)(=O)O)C2
CACTVS 3.385O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NC2CCNCC2
OpenEye OEToolkits 1.7.6C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2
Name:(2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide;
MK-7655, bound form
ZINC: ZINC000098209180
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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