SEQ2FUN

BioLiP

PDB CCD ID: 4JM
Number of entries in BioLiP: 4
Chemical formula: C7 H9 N S
InChI: InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKey: YKFROQCFVXOUPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSc1ccc(N)cc1
ACDLabs 12.01c1(SC)ccc(cc1)N
OpenEye OEToolkits 1.9.2CSc1ccc(cc1)N
Name:4-(methylsulfanyl)aniline
ZINC: ZINC000004244883
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).