SEQ2FUN

BioLiP

PDB CCD ID: ISP
Number of entries in BioLiP: 12
Chemical formula: C3 H9 O4 P
InChI: InChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKey: QPPQHRDVPBTVEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)OP(=O)(O)O
CACTVS 3.341CC(C)O[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OC(C)C
Name:PHOSPHORYLISOPROPANE
ChEMBL: CHEMBL144888
DrugBank: DB03976
ZINC: ZINC000001673625
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).