BioLiP

PDB

BioLiP

PDB CCD ID:

TYX

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O3 S

InChI:

InChI=1S/C11H14N2O3S/c12-9(11(15)16)6-17-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1

InChIKey:

KIOKPANRTZJOEP-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)NC(=O)CSC[C@@H](C(=O)O)N
CACTVS 3.341	N[CH](CSCC(=O)Nc1ccccc1)C(O)=O
CACTVS 3.341	N[C@@H](CSCC(=O)Nc1ccccc1)C(O)=O
ACDLabs 10.04	O=C(Nc1ccccc1)CSCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	c1ccc(cc1)NC(=O)CSCC(C(=O)O)N

Name:

S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE

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).