SEQ2FUN

BioLiP

PDB CCD ID: A1CD3
Number of entries in BioLiP: 1
Chemical formula: C18 H23 N5 O4 S
InChI: InChI=1S/C18H23N5O4S/c1-26-15-10-13(12-23-9-5-8-19-23)11-16-17(15)18(20-27-16)22-28(24,25)21-14-6-3-2-4-7-14/h5,8-11,14,21H,2-4,6-7,12H2,1H3,(H,20,22)
InChIKey: BRBZKBNMIOTTBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(Cn2cccn2)cc3onc(N[S](=O)(=O)NC4CCCCC4)c13
OpenEye OEToolkits 3.1.0.0COc1cc(cc2c1c(no2)NS(=O)(=O)NC3CCCCC3)Cn4cccn4
ACDLabs 14.52O=S(=O)(NC1CCCCC1)Nc1noc2cc(cc(OC)c21)Cn1cccn1
Name:N-cyclohexyl-N'-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}sulfuric diamide
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).