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BioLiP

PDB CCD ID: 1OU
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N4 O3 P
InChI: InChI=1S/C8H13N4O3P/c9-7(16(13,14)15)5-1-3-6(4-2-5)12-8(10)11/h1-4,7H,9H2,(H4,10,11,12)(H2,13,14,15)/t7-/m1/s1
InChIKey: BSLYPYFABFFNHY-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6[H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O
CACTVS 3.370N[CH](c1ccc(NC(N)=N)cc1)[P](O)(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1C(N)P(=O)(O)O)NC(=N)N
ACDLabs 12.01O=P(O)(O)C(c1ccc(NC(=[N@H])N)cc1)N
CACTVS 3.370N[C@@H](c1ccc(NC(N)=N)cc1)[P](O)(O)=O
Name:[(R)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid
ZINC: ZINC000096927713
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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