SEQ2FUN

BioLiP

PDB CCD ID: IPL
Number of entries in BioLiP: 1
Chemical formula: C11 H14 N O4 P
InChI: InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)
InChIKey: NKEZSFZOUIIZFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)OCCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCCCc2c1ccccc1nc2
Name:INDOLE-3-PROPANOL PHOSPHATE
ChEMBL: CHEMBL74074
DrugBank: DB03171
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).