SEQ2FUN

BioLiP

PDB CCD ID: 0M7
Number of entries in BioLiP: 1
Chemical formula: C7 H19 N O6 P2
InChI: InChI=1S/C7H19NO6P2/c1-2-3-4-5-8-6-7(15(9,10)11)16(12,13)14/h7-8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)
InChIKey: YDYMUJPNPOBLGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCNCC(P(=O)(O)O)P(=O)(O)O
ACDLabs 12.01O=P(O)(O)C(CNCCCCC)P(=O)(O)O
CACTVS 3.370CCCCCNCC([P](O)(O)=O)[P](O)(O)=O
Name:[2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid)
ChEMBL: CHEMBL409012
ZINC: ZINC000029061035
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).