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BioLiP

PDB CCD ID: HHA
Number of entries in BioLiP: 6
Chemical formula: C7 H9 N O3
InChI: InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1
InChIKey: XBTXTLKLSHACSS-WDSKDSINSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH]1[CH](O)C=CC=C1C(O)=O
OpenEye OEToolkits 1.5.0C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O
CACTVS 3.341N[C@@H]1[C@@H](O)C=CC=C1C(O)=O
ACDLabs 10.04O=C(O)C1=CC=CC(O)C1N
OpenEye OEToolkits 1.5.0C1=CC(C(C(=C1)C(=O)O)N)O
Name:(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID
ChEMBL: CHEMBL1233316
DrugBank: DB02124
ZINC: ZINC000005835424
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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