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BioLiP

PDB CCD ID: QDS
Number of entries in BioLiP: 0
Chemical formula: C12 H11 N3 O4
InChI: InChI=1S/C12H11N3O4/c16-6-10(12(18)19)15-11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10,16H,6H2,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKey: LGAAZSQTJQTRJH-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(NC(=O)c1nc2ccccc2nc1)CO
CACTVS 3.352OC[C@@H](NC(=O)c1cnc2ccccc2n1)C(O)=O
OpenEye OEToolkits 1.6.1c1ccc2c(c1)ncc(n2)C(=O)NC(CO)C(=O)O
OpenEye OEToolkits 1.6.1c1ccc2c(c1)ncc(n2)C(=O)N[C@H](CO)C(=O)O
CACTVS 3.352OC[CH](NC(=O)c1cnc2ccccc2n1)C(O)=O
Name:N-(quinoxalin-2-ylcarbonyl)-D-serine
ZINC: ZINC000001626850
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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