SEQ2FUN

BioLiP

PDB CCD ID: GVR
Number of entries in BioLiP: 5
Chemical formula: C23 H20 N2 O4 S
InChI: InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1
InChIKey: MMOUXLMPQFMDRD-JOCHJYFZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3
CACTVS 3.341ONC(=O)[C@@H](Cc1ccc2ccccc2c1)N[S](=O)(=O)c3ccc4ccccc4c3
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)CC(C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3
CACTVS 3.341ONC(=O)[CH](Cc1ccc2ccccc2c1)N[S](=O)(=O)c3ccc4ccccc4c3
ACDLabs 10.04O=S(=O)(c2cc1ccccc1cc2)NC(C(=O)NO)Cc4ccc3c(cccc3)c4
Name:(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide
ChEMBL: CHEMBL261713
DrugBank: DB07861
ZINC: ZINC000000594749
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).