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BioLiP Library

PDB CCD ID: 4VV
Number of entries in BioLiP: 1
Chemical formula: C15 H26 N6 O2
InChI: InChI=1S/C15H26N6O2/c22-18-12-14-16-6-10-20(14)8-4-2-1-3-5-9-21-11-7-17-15(21)13-19-23/h6-7,12-13,18-19,22-23H,1-5,8-11H2/b14-12+,15-13+
InChIKey: XUMCQYQLNOCDFI-QUMQEAAQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1C=NC(=CNO)N1CCCCCCCN2CC=NC2=CNO
OpenEye OEToolkits 1.9.2C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2
CACTVS 3.385ONC=C1N=CCN1CCCCCCCN2CC=NC2=CNO
CACTVS 3.385ON\C=C1/N=CCN1CCCCCCCN\2CC=NC\2=C\NO
ACDLabs 12.01C(CCCCCCN1CC=NC1=[C@H]NO)N2CC=N\C2=C/NO
Name:(Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine)
ZINC: ZINC000263621237
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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