BioLiP

PDB

BioLiP

PDB CCD ID:

2OY

Number of entries in BioLiP:

Chemical formula:

C14 H23 Cl N2 O3 S

InChI:

InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1

InChIKey:

HBYAITRXPLQDLO-UONOGXRCSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C
CACTVS 3.385	Cc1ccc(cc1)[S](=O)(=O)N[C@@H](CCCCN)[C@H](O)CCl
OpenEye OEToolkits 1.7.6	Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(CCl)O
OpenEye OEToolkits 1.7.6	Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O
CACTVS 3.385	Cc1ccc(cc1)[S](=O)(=O)N[CH](CCCCN)[CH](O)CCl

Name:

N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form);
Tosyllysine Chloromethyl Ketone (Bound Form)

ZINC:

ZINC000098208227

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).