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BioLiP Library

PDB CCD ID: FA4
Number of entries in BioLiP: 4
Chemical formula: C24 H42 N6 O3
InChI: InChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1
InChIKey: DPKFTMHWVJEOMW-OAQYLSRUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCCC[CH](NC(=O)CCCCCCCCCc1ccccc1CNC(N)=N)C(=O)NO
OpenEye OEToolkits 1.5.0[H]N=C(N)NCc1ccccc1CCCCCCCCCC(=O)NC(CCCCN)C(=O)NO
CACTVS 3.341NCCCC[C@@H](NC(=O)CCCCCCCCCc1ccccc1CNC(N)=N)C(=O)NO
ACDLabs 10.04O=C(NO)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N)CCCCN
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO
Name:SM-25453;
(2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE;
GUANIDINOMETHYLBENZIL D-LYSINE HYDROXAMATE
ZINC: ZINC000003821563
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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