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BioLiP

PDB CCD ID: 0HZ
Number of entries in BioLiP: 12
Chemical formula: C11 H20 N5 O2
InChI: InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/p+1/t7-,8+/m0/s1
InChIKey: ZRJHYOXNWCMGMW-JGVFFNPUSA-O
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2
CACTVS 3.341NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H]2CCCN2C1=O
CACTVS 3.341NC(=[NH2+])NCCC[CH]1NC(=O)[CH]2CCCN2C1=O
Name:amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium;
CI-4;
[cyclo-(l-Arg-d-Pro)]
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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