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BioLiP

PDB CCD ID: 6UU
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N2 O3 P
InChI: InChI=1S/C10H13N2O3P/c13-16(14,15)12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2,(H3,12,13,14,15)
InChIKey: LZBMOXGGHSGOHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)O
CACTVS 3.385O[P](O)(=O)NCCc1c[nH]c2ccccc12
Name:[2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid
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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