BioLiP

PDB

BioLiP

PDB CCD ID:

ZLF

Number of entries in BioLiP:

Chemical formula:

C11 H14 F N O2 S

InChI:

InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1

InChIKey:

USVLRZDFSGVOCB-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(cc(c1)F)CSCC(C(=O)O)N
CACTVS 3.385	Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1
CACTVS 3.385	Cc1cc(F)cc(CSC[C@H](N)C(O)=O)c1

Name:

S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE;
2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid

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).