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BioLiP

PDB CCD ID: TYY
Number of entries in BioLiP: 0
Chemical formula: C9 H10 N2 O4
InChI: InChI=1S/C9H10N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,10,13H,2,11H2,(H,14,15)/b10-5-/t6-/m0/s1
InChIKey: FKLZKBKFGLLJJV-HPWAZMHGSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1C=C(O)C(=[N@H])C=C1CC(C(=O)O)N
OpenEye OEToolkits 1.5.0C1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0C1=C(C(=O)C=C(C1=N)O)CC(C(=O)O)N
CACTVS 3.341N[CH](CC1=CC(=N)C(=CC1=O)O)C(O)=O
CACTVS 3.341N[C@@H](CC1=CC(=N)C(=CC1=O)O)C(O)=O
Name:3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA-1,4-DIENYL)-ALANINE
DrugBank: DB03631
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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