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BioLiP

PDB CCD ID: RVZ
Number of entries in BioLiP: 1
Chemical formula: C17 H12 N6 S
InChI: InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22)
InChIKey: MUJWBVGOOQHTTJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccccc3)c1C#N
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N
Name:2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
ChEMBL: CHEMBL124345
ZINC: ZINC000013580865
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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