BioLiP

PDB

BioLiP

PDB CCD ID:

VW4

Number of entries in BioLiP:

Chemical formula:

C9 H13 N O2 S

InChI:

InChI=1S/C9H13NO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)/t8-/m1/s1

InChIKey:

HXLOQIXEAPZOSG-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](C[S](N)(=O)=O)c1ccccc1
ACDLabs 12.01	NS(CC(c1ccccc1)C)(=O)=O
OpenEye OEToolkits 2.0.7	CC(CS(=O)(=O)N)c1ccccc1
OpenEye OEToolkits 2.0.7	C[C@H](CS(=O)(=O)N)c1ccccc1
CACTVS 3.385	C[CH](C[S](N)(=O)=O)c1ccccc1

Name:

(2S)-2-phenylpropane-1-sulfonamide

ZINC:

ZINC000050350615

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).