BioLiP

PDB

BioLiP

PDB CCD ID:

2T4

Number of entries in BioLiP:

Chemical formula:

C11 H11 N2 O4 P S

InChI:

InChI=1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16)

InChIKey:

UVWYMQWTZQHZHH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2
CACTVS 3.352	Nc1sc2Cc3cccc(OC[P](O)(O)=O)c3c2n1
ACDLabs 11.02	O=P(O)(O)COc1c2c(ccc1)Cc3sc(nc23)N

Name:

{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid

ChEMBL:

CHEMBL567704

ZINC:

ZINC000045259341

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).