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BioLiP

PDB CCD ID: 2IH
Number of entries in BioLiP: 4
Chemical formula: C12 H18 N4
InChI: InChI=1S/C12H18N4/c1(3-7-15-9-5-13-11-15)2-4-8-16-10-6-14-12-16/h5-6,9-12H,1-4,7-8H2
InChIKey: CHRPUSCNMSNSKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C(CCCn1ccnc1)CCn2ccnc2
OpenEye OEToolkits 1.5.0c1cn(cn1)CCCCCCn2ccnc2
ACDLabs 10.04n1ccn(c1)CCCCCCn2ccnc2
Name:1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE);
1,6-DI(IMIDAZOL-1-YL)HEXANE
ChEMBL: CHEMBL1229947
DrugBank: DB06968
ZINC: ZINC000053683994
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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