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BioLiP

PDB CCD ID: XPL
Number of entries in BioLiP: 0
Chemical formula: C12 H24 N4 O3
InChI: InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1
InChIKey: BUXWWMHLAXRADI-UTINFBMNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1CC(NC1C(=O)NCCCCC(C(=O)O)N)N
CACTVS 3.385C[CH]1C[CH](N)N[CH]1C(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6C[C@@H]1C[C@@H](N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N)N
CACTVS 3.385C[C@@H]1C[C@H](N)N[C@H]1C(=O)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C
Name:N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine;
4-amino reduced pyrrolysine
ZINC: ZINC000098209615
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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