BioLiP

PDB

BioLiP

PDB CCD ID:

RNW

Number of entries in BioLiP:

Chemical formula:

C15 H15 N O3 S

InChI:

InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)/t20-/m1/s1

InChIKey:

CGNMLOKEMNBUAI-HXUWFJFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO
CACTVS 3.385	ONC(=O)C[S](=O)C(c1ccccc1)c2ccccc2
CACTVS 3.385	ONC(=O)C[S@@](=O)C(c1ccccc1)c2ccccc2

Name:

2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide

ZINC:

ZINC000004611316

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).