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BioLiP

PDB CCD ID: 4CM
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N2 O2 P
InChI: InChI=1S/C8H11N2O2P/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)(H,11,12)
InChIKey: CVABPMXIKVDCLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CP(=O)(c1ccc(cc1)C(=N)N)O
CACTVS 3.341C[P](O)(=O)c1ccc(cc1)C(N)=N
OpenEye OEToolkits 1.5.0C[P@](=O)(c1ccc(cc1)C(=N)N)O
CACTVS 3.341C[P@](O)(=O)c1ccc(cc1)C(N)=N
ACDLabs 10.04O=P(O)(c1ccc(C(=[N@H])N)cc1)C
Name:(4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID
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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