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BioLiP

PDB CCD ID: 81R
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2 S2
InChI: InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1
InChIKey: JVFQVJUNUZLFFO-DMTCNVIQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(CS)S)C(C(=O)O)N
CACTVS 3.385N[C@@H](C[C@@H](S)CS)C(O)=O
ACDLabs 12.01O=C(O)C(N)CC(S)CS
CACTVS 3.385N[CH](C[CH](S)CS)C(O)=O
OpenEye OEToolkits 1.7.6C([C@H](CS)S)[C@@H](C(=O)O)N
Name:(4R)-4,5-disulfanyl-L-norvaline
ZINC: ZINC000098208584
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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