BioLiP

PDB

BioLiP

PDB CCD ID:

HSP

Number of entries in BioLiP:

Chemical formula:

C10 H15 O5 P S

InChI:

InChI=1S/C10H15O5PS/c11-9-5-1-2-6-10(9)17(15)8-4-3-7-16(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)/t17-/m1/s1

InChIKey:

FFIGWLBWBXCVHW-QGZVFWFLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccccc1[S@](=O)CCCC[P](O)(O)=O
ACDLabs 10.04	O=S(c1ccccc1O)CCCCP(=O)(O)O
CACTVS 3.385	Oc1ccccc1[S](=O)CCCC[P](O)(O)=O
OpenEye OEToolkits 1.7.5	c1ccc(c(c1)O)S(=O)CCCCP(=O)(O)O
OpenEye OEToolkits 1.7.5	c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O

Name:

4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID

DrugBank:

DB07925

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).