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BioLiP

PDB CCD ID: CYR
Number of entries in BioLiP: 0
Chemical formula: C9 H19 N4 O4 S
InChI: InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/p+1/t5-,6-/m0/s1
InChIKey: FBDBZWJNHYXEKT-WDSKDSINSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])SCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCNC(\SCC(N)C(=O)O)=[NH2+]
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])SC[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CCCNC(=[NH2+])SC[CH](N)C(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CCCNC(=[NH2+])SC[C@H](N)C(O)=O)C(O)=O
Name:N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-L-ORNITHINATE;
L-CYSTEIN-S-1-(IMINOMETHYL)-L-ORNITHINE
DrugBank: DB04671
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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