SEQ2FUN

BioLiP

PDB CCD ID: FIP
Number of entries in BioLiP: 3
Chemical formula: C11 H13 F N O4 P
InChI: InChI=1S/C11H13FNO4P/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-17-18(14,15)16/h3-4,6-7,13H,1-2,5H2,(H2,14,15,16)
InChIKey: YVYGGBFCYXRNKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O
CACTVS 3.341O[P](O)(=O)OCCCc1c[nH]c2ccc(F)cc12
ACDLabs 10.04Fc1cc2c(cc1)ncc2CCCOP(=O)(O)O
Name:5-FLUOROINDOLE PROPANOL PHOSPHATE
ChEMBL: CHEMBL1160523
DrugBank: DB07773
ZINC: ZINC000003606158
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).