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BioLiP

PDB CCD ID: D3H
Number of entries in BioLiP: 3
Chemical formula: C8 H11 N3 O
InChI: InChI=1S/C8H11N3O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5,9-10H2,(H,11,12)
InChIKey: DKCWGVIARWBMDV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1N)NC(=O)CN
CACTVS 3.385NCC(=O)Nc1ccc(N)cc1
Name:~{N}-(4-aminophenyl)-2-azanyl-ethanamide
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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