SEQ2FUN

BioLiP

PDB CCD ID: T5M
Number of entries in BioLiP: 1
Chemical formula: C19 H21 N O2
InChI: InChI=1S/C19H21NO2/c1-19(2,3)16-10-13(8-9-17(16)21)18(22)20-11-14-6-4-5-7-15(14)12-20/h4-10,21H,11-12H2,1-3H3
InChIKey: AGHRSYDXIACWAH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1ccc(O)c(c1)C(C)(C)C)N3Cc2ccccc2C3
CACTVS 3.352
OpenEye OEToolkits 1.6.1		CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2
Name:2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL
ChEMBL: CHEMBL1236159
ZINC: ZINC000058638468
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).