BioLiP

PDB

BioLiP

PDB CCD ID:

DYS

Number of entries in BioLiP:

Chemical formula:

C11 H16 N2 O4 S

InChI:

InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1

InChIKey:

BZYHBWCVRKSWDB-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1O)O)SCC(C(=O)O)N)CCN
CACTVS 3.341	NCCc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)CCN
CACTVS 3.341	NCCc1cc(O)c(O)c(SC[C@H](N)C(O)=O)c1
ACDLabs 10.04	O=C(O)C(N)CSc1cc(cc(O)c1O)CCN

Name:

S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-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).