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BioLiP

PDB CCD ID: HIP
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N3 O5 P
InChI: InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/p+1/t5-/m0/s1
InChIKey: VOHVXLVXSYAFOA-YFKPBYRVSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(n(c[nH+]1)P(=O)(O)O)C[C@@H](C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH+]cn1[P](O)(O)=O)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH+]cn1[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)n1c(c[nH+]c1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1c(n(c[nH+]1)P(=O)(O)O)CC(C(=O)O)N
Name:ND1-PHOSPHONOHISTIDINE
DrugBank: DB01899
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)(download the PDF file).
  • 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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