SEQ2FUN

BioLiP

PDB CCD ID: A1AOU
Number of entries in BioLiP: 1
Chemical formula: C20 H14 F N O2
InChI: InChI=1S/C20H14FNO2/c21-16-9-8-13-5-3-6-15(17(13)11-16)12-22-18-7-2-1-4-14(18)10-19(22)20(23)24/h1-11H,12H2,(H,23,24)
InChIKey: VTJLBBRPEKZJJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc(n2Cc3cccc4c3cc(cc4)F)C(=O)O
CACTVS 3.385OC(=O)c1cc2ccccc2n1Cc3cccc4ccc(F)cc34
ACDLabs 12.01O=C(O)c1cc2ccccc2n1Cc1cccc2ccc(F)cc21
Name:1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
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).