SEQ2FUN

BioLiP

PDB CCD ID: E6W
Number of entries in BioLiP: 3
Chemical formula: C16 H9 Br N2 O
InChI: InChI=1S/C16H9BrN2O/c17-15-12(9-4-2-1-3-5-9)11-7-6-10-8-18-16(20)13(10)14(11)19-15/h1-8,19H
InChIKey: VKVBXHZFKDKMDA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4
CACTVS 3.385Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4
Name:2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one
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).