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BioLiP

PDB CCD ID: PMI
Number of entries in BioLiP: 16
Chemical formula: C9 H12 N O3 P
InChI: InChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13)
InChIKey: YJFRDRWPYDVEIH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1(Cc2ccccc2C1)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C2(N)Cc1ccccc1C2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CC(C2)(N)P(=O)(O)O
Name:(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID;
2-AMINOINDAN-2-PHOSPHONIC ACID
ZINC: ZINC000013525586
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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