SEQ2FUN

BioLiP

PDB CCD ID: OJR
Number of entries in BioLiP: 1
Chemical formula: C24 H31 N7 O2 S
InChI: InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31)
InChIKey: LHOHTNKBXFSQBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NS(=O)(=O)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)CC1CCNCC1
CACTVS 3.385N[S](=O)(=O)c1c(CC2CCNCC2)ccc(c3ccc(cc3)C4CCNCC4)c1c5[nH]nnn5
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)CC4CCNCC4)C5CCNCC5
Name:(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
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).