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BioLiP Library

PDB CCD ID: Z94
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O3
InChI: InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)/t9-/m0/s1
InChIKey: GUTQNQMNYWTMBT-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O
OpenEye OEToolkits 1.7.0CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2
CACTVS 3.352CC(=O)Nc1ccc(cc1)[C@@H]2NC(=O)NC2=O
OpenEye OEToolkits 1.7.0CC(=O)Nc1ccc(cc1)C2C(=O)NC(=O)N2
Name:N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide;
2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID
ZINC: ZINC000039334731
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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