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BioLiP

PDB CCD ID: 143
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N3 O5 S
InChI: InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h1,3,5-6,11H,2,9-10H2,(H,12,13)(H,14,15)/t3-,5+,6-/m0/s1
InChIKey: BKLXHXYNMPKLBR-LFRDXLMFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CS[C@H]1NOC(=C1)[C@H](N)C(O)=O)C(O)=O
CACTVS 3.341N[CH](CS[CH]1NOC(=C1)[CH](N)C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(C=1ONC(SCC(N)C(=O)O)C=1)N
OpenEye OEToolkits 1.5.0C1=C(ONC1SCC(C(=O)O)N)C(C(=O)O)N
Name:S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE;
2-AMINO-3-[5-(AMINO-CARBOXY-METHYL)-2,3-DIHYDRO-ISOXAZOL-3-YLSULFANYL]-PROPIONIC ACID
DrugBank: DB01974
ZINC: ZINC000006361271
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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