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BioLiP Library

PDB CCD ID: C99
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N3 O6
InChI: InChI=1S/C8H13N3O6/c1-3(12)5(9)8(17)10-6(15)7(16)11(8)2-4(13)14/h3,5,12,17H,2,9H2,1H3,(H,10,15)(H,13,14)/t3-,5+,8-/m1/s1
InChIKey: QYFXMTPKEZLAPH-UWBRJAPDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H]([C@]1(NC(=O)C(=O)N1CC(=O)O)O)N)O
CACTVS 3.341C[CH](O)[CH](N)[C]1(O)NC(=O)C(=O)N1CC(O)=O
OpenEye OEToolkits 1.5.0CC(C(C1(NC(=O)C(=O)N1CC(=O)O)O)N)O
CACTVS 3.341C[C@@H](O)[C@H](N)[C@@]1(O)NC(=O)C(=O)N1CC(O)=O
ACDLabs 10.04O=C(O)CN1C(=O)C(=O)NC1(O)C(N)C(O)C
Name:{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-1-YL}ACETIC ACID;
CHROMOPHORE (THR-PHE-GLY)
ZINC: ZINC000058632876
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)(download the PDF file).
  • 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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