SEQ2FUN

BioLiP

PDB CCD ID: TTR
Number of entries in BioLiP: 1
Chemical formula: C14 H13 N O2
InChI: InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3
InChIKey: MIGJEXKBUJPKJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)n1c2ccccc2c3CCCC(=O)c13
ACDLabs 10.04O=C3c2c(c1c(cccc1)n2C(=O)C)CCC3
OpenEye OEToolkits 1.5.0CC(=O)n1c2ccccc2c3c1C(=O)CCC3
Name:9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE
ChEMBL: CHEMBL1236441
DrugBank: DB08655
ZINC: ZINC000000393073
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).