SEQ2FUN

BioLiP

PDB CCD ID: ANC
Number of entries in BioLiP: 4
Chemical formula: C14 H11 N
InChI: InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2
InChIKey: YUENFNPLGJCNRB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04c3cc2cc1cccc(N)c1cc2cc3
OpenEye OEToolkits 1.5.0c1ccc2cc3c(cccc3N)cc2c1
CACTVS 3.341Nc1cccc2cc3ccccc3cc12
Name:ANTHRACEN-1-YLAMINE;
AMINOANTHRACENE
ChEMBL: CHEMBL82321
DrugBank: DB01976
ZINC: ZINC000001689948
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).