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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: MV5
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N3 O2 S2
InChI: InChI=1S/C6H13N3O2S2/c7-4(1-10)2-12-13-3-5(8)6(9)11/h1,4-5H,2-3,7-8H2,(H2,9,11)/t4-,5+/m1/s1
InChIKey: YPDYDODADSFOTL-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CSSC[C@H](N)C(N)=O)C=O
OpenEye OEToolkits 2.0.7C(C(C=O)N)SSCC(C(=O)N)N
OpenEye OEToolkits 2.0.7C([C@@H](C=O)N)SSC[C@@H](C(=O)N)N
CACTVS 3.385N[CH](CSSC[CH](N)C(N)=O)C=O
Name:(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide

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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