SEQ2FUN

BioLiP

PDB CCD ID: GFT
Number of entries in BioLiP: 0
Chemical formula: C10 H20 N O5 P
InChI: InChI=1S/C10H20NO5P/c1-17(14,15-7-9(11)10(12)13)16-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-,17-/m0/s1
InChIKey: MMIZIQBFTWGSRL-XYZCENFISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CP(=O)(OCC(C(=O)O)N)OC1CCCCC1
CACTVS 3.385C[P](=O)(OC[CH](N)C(O)=O)OC1CCCCC1
ACDLabs 12.01O=C(O)C(N)COP(=O)(OC1CCCCC1)C
OpenEye OEToolkits 1.9.2C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1
CACTVS 3.385C[P@](=O)(OC[C@H](N)C(O)=O)OC1CCCCC1
Name:(2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid;
Cyclosarin bound Serine
ZINC: ZINC000098208934
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).