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BioLiP

PDB CCD ID: AIM
Number of entries in BioLiP: 0
Chemical formula: C9 H14 N4
InChI: InChI=1S/C9H14N4/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h5,7H,1-4,10H2,(H2,11,13)/b8-6-/t7-/m1/s1
InChIKey: IOFGATAJWGLVLA-QHRPWQPMSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04N=2\C(=C1/CCC(N)CC1)C=NC=2N
OpenEye OEToolkits 1.5.0C1CC(=C2C=NC(=N2)N)CCC1N
CACTVS 3.341N[CH]1CC[C@@](CC1)=[C]2C=NC(=N2)N
CACTVS 3.341N[CH]1CC[C](CC1)=[C]2C=NC(=N2)N
Name:4-(4-AMINO-CYCLOHEXYLIDENE)-4H-IMIDAZOL-2-YLAMINE
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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