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BioLiP

PDB CCD ID: R9X
Number of entries in BioLiP: 6
Chemical formula: C21 H30 N O4 P
InChI: InChI=1S/C21H30NO4P/c1-2-3-4-5-6-7-8-16-20(23)22-21(27(24,25)26)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,21H,2-8,16H2,1H3,(H,22,23)(H2,24,25,26)/t21-/m1/s1
InChIKey: QQNUSDSQHYRTKZ-OAQYLSRUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCC(=O)N[C@@H](c1cccc2ccccc12)[P](O)(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCC(=O)N[C@@H](c1cccc2c1cccc2)P(=O)(O)O
OpenEye OEToolkits 2.0.7CCCCCCCCCC(=O)NC(c1cccc2c1cccc2)P(=O)(O)O
CACTVS 3.385CCCCCCCCCC(=O)N[CH](c1cccc2ccccc12)[P](O)(O)=O
Name:[(R)-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid
ZINC: ZINC000071341888
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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