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BioLiP

PDB CCD ID: F18
Number of entries in BioLiP: 5
Chemical formula: C9 H10 N6 O
InChI: InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12-
InChIKey: AYZRKFOEZQBUEA-SEYXRHQNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.5c1cc(ccc1N=Nc2c([nH]nc2N)N)O
OpenEye OEToolkits 1.7.5c1cc(ccc1/N=N\c2c([nH]nc2N)N)O
CACTVS 3.385Nc1[nH]nc(N)c1N=Nc2ccc(O)cc2
ACDLabs 10.04N(=N\c1c(nnc1N)N)\c2ccc(O)cc2
Name:4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL;
CAN508
ZINC: ZINC000100424605

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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