BioLiP

PDB

BioLiP

PDB CCD ID:

PYX

Number of entries in BioLiP:

Chemical formula:

C11 H17 N3 O3 S2

InChI:

InChI=1S/C11H17N3O3S2/c1-6-10(15)8(2-12)7(3-14-6)4-18-19-5-9(13)11(16)17/h3,9,15H,2,4-5,12-13H2,1H3,(H,16,17)/t9-/m0/s1

InChIKey:

GNMYVMXAEUCEOO-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(c(c(cn1)CSSCC(C(=O)O)N)CN)O
ACDLabs 10.04	O=C(O)C(N)CSSCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0	Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O
CACTVS 3.341	Cc1ncc(CSSC[C@H](N)C(O)=O)c(CN)c1O
CACTVS 3.341	Cc1ncc(CSSC[CH](N)C(O)=O)c(CN)c1O

Name:

S-[S-THIOPYRIDOXAMINYL]CYSTEINE

ZINC:

ZINC000033432453

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).