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BioLiP

PDB CCD ID: K6T
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N4 S
InChI: InChI=1S/C17H16N4S/c18-12-7-4-8-13(9-12)21-17-14(10-15(22-17)16(19)20)11-5-2-1-3-6-11/h1-10,21H,18H2,(H3,19,20)
InChIKey: LZGYXCFYIGRPJS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(sc2Nc3cccc(c3)N)C(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(\c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N
CACTVS 3.385NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3
Name:5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide
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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