SEQ2FUN

BioLiP

PDB CCD ID: EYB
Number of entries in BioLiP: 2
Chemical formula: C19 H20 N3 O
InChI: InChI=1S/C19H19N3O/c1-3-22-18-7-4-13(10-20-2)8-17(18)16-6-5-14(9-19(16)22)15-11-21-23-12-15/h4-9,11-12,20H,3,10H2,1-2H3/p+1
InChIKey: VHUKHTBOFRYGOK-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C
CACTVS 3.385CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4conc4
Name:[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium
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).