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BioLiP

PDB CCD ID: 554
Number of entries in BioLiP: 2
Chemical formula: C12 H20 N2 O7
InChI: InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
InChIKey: CUZKLRTTYZOCSD-CIUDSAMLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O
OpenEye OEToolkits 2.0.7C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)O
CACTVS 3.385O[C@@H](CCN[C@@H](CCN1CC[C@H]1C(O)=O)C(O)=O)C(O)=O
CACTVS 3.385O[CH](CCN[CH](CCN1CC[CH]1C(O)=O)C(O)=O)C(O)=O
Name:(2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid
ZINC: ZINC000005134109
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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