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BioLiP

PDB CCD ID: XOC
Number of entries in BioLiP: 1
Chemical formula: C19 H21 N3 O S
InChI: InChI=1S/C19H21N3OS/c23-19(14-21-12-6-1-7-13-21)20-22-15-8-2-4-10-17(15)24-18-11-5-3-9-16(18)22/h2-5,8-11H,1,6-7,12-14H2,(H,20,23)
InChIKey: ALVVXSSFOOYRDP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4
CACTVS 3.385O=C(CN1CCCCC1)NN2c3ccccc3Sc4ccccc24
Name:N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide;
FD44
ChEMBL: CHEMBL1938454
ZINC: ZINC000073195989
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).
  • 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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