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BioLiP

PDB CCD ID: W1W
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N3 S
InChI: InChI=1S/C10H9N3S/c11-8-4-5-10(13-7-8)14-9-3-1-2-6-12-9/h1-7H,11H2
InChIKey: XWNFGZLXUDSFQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1cnc(Sc2ncccc2)cc1
CACTVS 3.385Nc1ccc(Sc2ccccn2)nc1
OpenEye OEToolkits 2.0.7c1ccnc(c1)Sc2ccc(cn2)N
Name:6-[(pyridin-2-yl)sulfanyl]pyridin-3-amine
ZINC: ZINC000000132758
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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