BioLiP

PDB

BioLiP

PDB CCD ID:

SL9

Number of entries in BioLiP:

Chemical formula:

C10 H20 N4 O2 S

InChI:

InChI=1S/C10H20N4O2S/c1-7(15)14-8(10(12)16)4-2-3-5-13-9(11)6-17/h8,17H,2-6H2,1H3,(H2,11,13)(H2,12,16)(H,14,15)/t8-/m0/s1

InChIKey:

VZQPDVWZAWZPHB-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)NC(CCCCNC(=N)CS)C(=O)N
CACTVS 3.385	CC(=O)N[CH](CCCCNC(=N)CS)C(N)=O
OpenEye OEToolkits 2.0.7	[H]/N=C(/CS)\NCCCC[C@@H](C(=O)N)NC(=O)C
CACTVS 3.385	CC(=O)N[C@@H](CCCCNC(=N)CS)C(N)=O

Name:

(2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide

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).