SEQ2FUN

BioLiP

PDB CCD ID: 1KJ
Number of entries in BioLiP: 2
Chemical formula: C7 H16 N4 O3
InChI: InChI=1S/C7H16N4O3/c1-14-11-7(9)10-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
InChIKey: FRTXFDDNHUEGNE-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC
CACTVS 3.370CONC(=N)NCCC[C@H](N)C(O)=O
CACTVS 3.370CONC(=N)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6CONC(=N)NCCCC(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCCNC(=[N@H])NOC
Name:N~5~-(N-methoxycarbamimidoyl)-L-ornithine
ChEMBL: CHEMBL444710
ZINC: ZINC000036459648

Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).