SEQ2FUN

BioLiP

PDB CCD ID: 0MQ
Number of entries in BioLiP: 1
Chemical formula: C8 H19 N O6 P2
InChI: InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)6-9-7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)
InChIKey: OAHUDYBQKIUBMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[P](O)(=O)C(CNC1CCCCC1)[P](O)(O)=O
OpenEye OEToolkits 1.7.6C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O
Name:[2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid
ChEMBL: CHEMBL261432
ZINC: ZINC000001535344
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).