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BioLiP

PDB CCD ID: MMO
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N4 O2
InChI: InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1
InChIKey: NTWVQPHTOUKMDI-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CN[CH](CCCNC(N)=N)C(O)=O
OpenEye OEToolkits 1.7.0[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC
ACDLabs 12.01O=C(O)C(NC)CCCNC(=[N@H])N
OpenEye OEToolkits 1.7.0CNC(CCCNC(=N)N)C(=O)O
CACTVS 3.370CN[C@@H](CCCNC(N)=N)C(O)=O
Name:N~2~-methyl-L-arginine
ChEMBL: CHEMBL332148
ZINC: ZINC000001995987
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)(download the PDF file).
  • 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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