BioLiP

PDB

BioLiP

PDB CCD ID:

ZZD

Number of entries in BioLiP:

Chemical formula:

C22 H21 N O2 S

InChI:

InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1

InChIKey:

DLMYFMLKORXJPO-FQEVSTJZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.6.1	c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SCC(C(=O)O)N
CACTVS 3.352	N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(O)=O
CACTVS 3.352	N[CH](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3

Name:

S-TRITYL-L-CYSTEINE

ChEMBL:

CHEMBL392695

ZINC:

ZINC000003861261

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).