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BioLiP

PDB CCD ID: FWO
Number of entries in BioLiP: 4
Chemical formula: C10 H18 N2 O5
InChI: InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
InChIKey: IYJILWQAFPUBHP-BQBZGAKWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)CC(C(=O)O)NC(=O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N
CACTVS 3.385CC(C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O
CACTVS 3.385CC(C)C[C@H](NC(=O)C[C@H](N)C(O)=O)C(O)=O
Name:(2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
ZINC: ZINC000002522597
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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