BioLiP

PDB

BioLiP

PDB CCD ID:

A1INH

Number of entries in BioLiP:

Chemical formula:

C15 H25 O2 P S

InChI:

InChI=1S/C15H25O2PS/c1-3-5-6-7-14-8-10-15(11-9-14)19-13-12-18(16)17-4-2/h8-11,16H,3-7,12-13H2,1-2H3/t18-/m1/s1

InChIKey:

FXKUIYATLFLECN-GOSISDBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCc1ccc(cc1)SCC[P@](O)OCC
CACTVS 3.385	CCCCCc1ccc(SCC[P@](O)OCC)cc1
OpenEye OEToolkits 2.0.7	CCCCCc1ccc(cc1)SCCP(O)OCC
CACTVS 3.385	CCCCCc1ccc(SCC[P](O)OCC)cc1

Name:

ethoxy-[2-(4-pentylphenyl)sulfanylethyl]phosphinous acid

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).