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BioLiP

PDB CCD ID: 6FY
Number of entries in BioLiP: 2
Chemical formula: C10 H19 N2 O7 P
InChI: InChI=1S/C10H19N2O7P/c1-2-7(9(15)12-5-8(13)14)19-20(18)4-3-6(11)10(16)17/h6-7,20H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7+/m0/s1
InChIKey: ZHBIUULHWXYKFH-NKWVEPMBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CCC(C(=O)NCC(=O)O)OP(=O)CCC(C(=O)O)N
CACTVS 3.385CC[C@@H](O[P@H](=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 2.0.5CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O)N
CACTVS 3.385CC[CH](O[PH](=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
Name:(2~{S})-2-azanyl-4-[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid
ZINC: ZINC000584904992
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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