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BioLiP

PDB CCD ID: SYE
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N O3 P
InChI: InChI=1S/C10H10NO3P/c12-15(13,14)7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6H,7H2,(H2,12,13,14)
InChIKey: SZCYKKWPKXABPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)ccc(n2)CP(=O)(O)O
ACDLabs 12.01O=P(O)(O)Cc1nc2ccccc2cc1
CACTVS 3.370O[P](O)(=O)Cc1ccc2ccccc2n1
Name:(quinolin-2-ylmethyl)phosphonic acid
ChEMBL: CHEMBL1615247
ZINC: ZINC000064744223
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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