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BioLiP

PDB CCD ID: 2BF
Number of entries in BioLiP: 4
Chemical formula: C14 H16 N O3 P
InChI: InChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m1/s1
InChIKey: SLMGIUOAZCYKPE-CQSZACIVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)[C@@H](NCc1ccccc1)c2ccccc2
CACTVS 3.341O[P](O)(=O)[CH](NCc1ccccc1)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)CNC(c2ccccc2)P(=O)(O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)C(NCc1ccccc1)c2ccccc2
Name:ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID
ChEMBL: CHEMBL1186230
DrugBank: DB03577
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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