SEQ2FUN

BioLiP

PDB CCD ID: 381
Number of entries in BioLiP: 1
Chemical formula: C10 H22 N O2 P
InChI: InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)
InChIKey: XOESDNIUAWGCLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCC[P](O)(=O)CC1CCCCC1
ACDLabs 12.01O=P(O)(CC1CCCCC1)CCCN
OpenEye OEToolkits 1.7.6C1CCC(CC1)CP(=O)(CCCN)O
Name:(S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid;
CGP 46381
ChEMBL: CHEMBL112362
ZINC: ZINC000026988293
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).