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BioLiP

PDB CCD ID: PYX
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)CSSCC(C(=O)O)N)CN)O
ACDLabs 10.04O=C(O)C(N)CSSCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O
CACTVS 3.341Cc1ncc(CSSC[C@H](N)C(O)=O)c(CN)c1O
CACTVS 3.341Cc1ncc(CSSC[CH](N)C(O)=O)c(CN)c1O
Name:S-[S-THIOPYRIDOXAMINYL]CYSTEINE
ZINC: ZINC000033432453
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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