BioLiP

PDB

BioLiP

PDB CCD ID:

9E7

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O2 S

InChI:

InChI=1S/C7H16N2O2S/c8-6(7(10)11)3-1-2-4-9-5-12/h6,9,12H,1-5,8H2,(H,10,11)/t6-/m0/s1

InChIKey:

IEEWMGZMRLQVDH-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CCNCS)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CCCCNCS)C(O)=O
ACDLabs 12.01	C(O)(C(N)CCCCNCS)=O
OpenEye OEToolkits 2.0.6	C(CCNCS)CC(C(=O)O)N
CACTVS 3.385	N[C@@H](CCCCNCS)C(O)=O

Name:

N~6~-(sulfanylmethyl)-L-lysine

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).