SEQ2FUN

BioLiP

PDB CCD ID: 2T5
Number of entries in BioLiP: 4
Chemical formula: C11 H10 N O4 P S
InChI: InChI=1S/C11H10NO4PS/c13-17(14,15)6-16-8-3-1-2-7-4-9-11(10(7)8)12-5-18-9/h1-3,5H,4,6H2,(H2,13,14,15)
InChIKey: SMDILGWFXDZUOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2
CACTVS 3.352O[P](O)(=O)COc1cccc2Cc3scnc3c12
ACDLabs 11.02O=P(O)(O)COc1c2c(ccc1)Cc3scnc23
Name:[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
ChEMBL: CHEMBL592390
ZINC: ZINC000045338071
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).