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BioLiP

PDB CCD ID: 884
Number of entries in BioLiP: 0
Chemical formula: C22 H19 N5
InChI: InChI=1S/C22H19N5/c23-21(24)15-5-1-13(2-6-15)17-9-10-18-12-19(27-20(18)11-17)14-3-7-16(8-4-14)22(25)26/h1-12,27H,(H3,23,24)(H3,25,26)
InChIKey: AXMNWOOVENPWID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01[N@H]=C(N)c4ccc(c1ccc2c(c1)nc(c2)c3ccc(C(=[N@H])N)cc3)cc4
OpenEye OEToolkits 1.7.2c1cc(ccc1c2ccc3cc([nH]c3c2)c4ccc(cc4)C(=N)N)C(=N)N
OpenEye OEToolkits 1.7.2[H]/N=C(/c1ccc(cc1)c2ccc3cc([nH]c3c2)c4ccc(cc4)/C(=N\[H])/N)\N
CACTVS 3.370NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3c2)c4ccc(cc4)C(N)=N
Name:4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide
ChEMBL: CHEMBL1789312
ZINC: ZINC000071294730
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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