BioLiP

PDB

BioLiP

PDB CCD ID:

C5C

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O2 S2

InChI:

InChI=1S/C8H15NO2S2/c9-7(8(10)11)5-12-13-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1

InChIKey:

YZTTYCHSXMGEER-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CCC(C1)SSC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CSSC1CCCC1
CACTVS 3.341	N[C@@H](CSSC1CCCC1)C(O)=O
OpenEye OEToolkits 1.5.0	C1CCC(C1)SSCC(C(=O)O)N
CACTVS 3.341	N[CH](CSSC1CCCC1)C(O)=O

Name:

S-CYCLOPENTYL THIOCYSTEINE

ZINC:

ZINC000033622264

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).