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BioLiP

PDB CCD ID: 5PM
Number of entries in BioLiP: 0
Chemical formula: C24 H18 N4 S
InChI: InChI=1S/C24H18N4S/c1-3-15-25-21(5-1)17-27-19-7-11-23(12-8-19)29-24-13-9-20(10-14-24)28-18-22-6-2-4-16-26-22/h1-18H/b27-17+,28-18+
InChIKey: KHOHHSYBCGDFBZ-XUIWWLCJSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04N(/c3ccc(Sc2ccc(/N=C/c1ncccc1)cc2)cc3)=C\c4ncccc4
OpenEye OEToolkits 1.5.0c1ccnc(c1)C=Nc2ccc(cc2)Sc3ccc(cc3)N=Cc4ccccn4
CACTVS 3.341S(c1ccc(cc1)N=Cc2ccccn2)c3ccc(cc3)N=Cc4ccccn4
OpenEye OEToolkits 1.5.0c1ccnc(c1)\C=N\c2ccc(cc2)Sc3ccc(cc3)/N=C/c4ccccn4
Name:4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline};
1,1-Bis(N-(4-phenyl)-2-pyridylcarboxaldimine)thioether
ZINC: ZINC000058631403
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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