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BioLiP

PDB CCD ID: 0BN
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N3 O2
InChI: InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
InChIKey: XPRCPVGCTGELMN-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)N)/N
CACTVS 3.370N[C@@H](Cc1ccc(cc1)C(N)=N)C(O)=O
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(C(=O)O)N)C(=N)N
CACTVS 3.370N[CH](Cc1ccc(cc1)C(N)=N)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N
Name:4-carbamimidoyl-L-phenylalanine
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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