SEQ2FUN

BioLiP

PDB CCD ID: FD6
Number of entries in BioLiP: 1
Chemical formula: C19 H23 Cl N4 S
InChI: InChI=1S/C19H23ClN4S/c1-22-10-12-23(13-11-22)21-8-9-24-16-4-2-3-5-18(16)25-19-7-6-15(20)14-17(19)24/h2-7,14,21H,8-13H2,1H3
InChIKey: FCJWPLVHJGKUHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl
CACTVS 3.385CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24
Name:N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine;
FD16
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).