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BioLiP

PDB CCD ID: UDS
Number of entries in BioLiP: 0
Chemical formula: C13 H12 N2 O5
InChI: InChI=1S/C13H12N2O5/c16-6-9(13(19)20)15-12(18)11-10(17)5-7-3-1-2-4-8(7)14-11/h1-5,9,16-17H,6H2,(H,15,18)(H,19,20)/t9-/m1/s1
InChIKey: BTUDZNSKPNNMTD-SECBINFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC[CH](NC(=O)c1nc2ccccc2cc1O)C(O)=O
OpenEye OEToolkits 1.6.1c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O
ACDLabs 10.04O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO
OpenEye OEToolkits 1.6.1c1ccc2c(c1)cc(c(n2)C(=O)NC(CO)C(=O)O)O
CACTVS 3.352OC[C@@H](NC(=O)c1nc2ccccc2cc1O)C(O)=O
Name:N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE
ZINC: ZINC000058649713
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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