SEQ2FUN

BioLiP

PDB CCD ID: 6JU
Number of entries in BioLiP: 1
Chemical formula: C17 H15 Br N2 O2
InChI: InChI=1S/C17H15BrN2O2/c18-14-6-7-16-15(9-14)13(8-12-4-2-1-3-5-12)10-20(16)11-17(21)19-22/h1-7,9-10,22H,8,11H2,(H,19,21)
InChIKey: UALZWYXMMCSOBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO
ACDLabs 12.01c1(cn(c2c1cc(cc2)Br)CC(=O)NO)Cc3ccccc3
CACTVS 3.385ONC(=O)Cn1cc(Cc2ccccc2)c3cc(Br)ccc13
Name:2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide
ZINC: ZINC000059149028
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).