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BioLiP

PDB CCD ID: WFB
Number of entries in BioLiP: 0
Chemical formula: C21 H18 N6
InChI: InChI=1S/C21H18N6/c22-19(23)13-3-1-12(2-4-13)16-9-10-17-18(11-16)27-21(26-17)15-7-5-14(6-8-15)20(24)25/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)
InChIKey: PHJDIHHRXDMKMB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N=C(N)c1ccc(cc1)c1ccc2nc([NH]c2c1)c1ccc(cc1)C(=N)N
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)C(=N)N)C(=N)N
CACTVS 3.385NC(=N)c1ccc(cc1)c2ccc3nc([nH]c3c2)c4ccc(cc4)C(N)=N
OpenEye OEToolkits 2.0.7[H]/N=C(/c1ccc(cc1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)/C(=N\[H])/N)\N
Name:4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide)
ChEMBL: CHEMBL1789379
ZINC: ZINC000071295171
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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