SEQ2FUN

BioLiP

PDB CCD ID: AN1
Number of entries in BioLiP: 4
Chemical formula: C18 H16 O2
InChI: InChI=1S/C18H16O2/c1-12-13-6-2-4-8-15(13)17(10-11-18(19)20)16-9-5-3-7-14(12)16/h2-9H,10-11H2,1H3,(H,19,20)
InChIKey: CKQINRXZVYBCSC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O
ACDLabs 10.04O=C(O)CCc2c3c(c(c1c2cccc1)C)cccc3
CACTVS 3.341Cc1c2ccccc2c(CCC(O)=O)c3ccccc13
Name:3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID
DrugBank: DB07371
ZINC: ZINC000002047784
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).