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BioLiP

PDB CCD ID: DAP
Number of entries in BioLiP: 0
Chemical formula: C16 H15 N5
InChI: InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)
InChIKey: FWBHETKCLVMNFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N
CACTVS 3.341NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3c2)C(N)=N
ACDLabs 10.04[N@H]=C(N)c3ccc(c2cc1ccc(cc1n2)C(=[N@H])N)cc3
Name:6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE
ChEMBL: CHEMBL48217
ZINC: ZINC000000056538
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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