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BioLiP

PDB CCD ID: DBS
Number of entries in BioLiP: 20
Chemical formula: C10 H11 N O6
InChI: InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1
InChIKey: VDTYHTVHFIIEIL-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O
CACTVS 3.341OC[CH](NC(=O)c1cccc(O)c1O)C(O)=O
ACDLabs 10.04O=C(O)C(NC(=O)c1cccc(O)c1O)CO
CACTVS 3.341OC[C@H](NC(=O)c1cccc(O)c1O)C(O)=O
Name:2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID;
2,3,-DIHYDROXYBENZOYLSERINE
DrugBank: DB02710
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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