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BioLiP

PDB CCD ID: M3Q
Number of entries in BioLiP: 5
Chemical formula: C10 H10 N O3 P
InChI: InChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14)
InChIKey: JEAIVEQRSHHAIR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)Cc1cccc2cccnc12
OpenEye OEToolkits 2.0.6c1cc2cccnc2c(c1)CP(=O)(O)O
ACDLabs 12.01C(c1cccc2cccnc12)P(O)(=O)O
Name:[(quinolin-8-yl)methyl]phosphonic acid
ChEMBL: CHEMBL4472640
ZINC: ZINC000039256456
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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