SEQ2FUN

BioLiP

PDB CCD ID: AP
Number of entries in BioLiP: 0
Chemical formula: C16 H11 N
InChI: InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
InChIKey: YZVWKHVRBDQPMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2ccc3ccc(c4c3c2c(c1)cc4)N
ACDLabs 10.04c4cc2ccc1ccc(N)c3c1c2c(cc3)c4
CACTVS 3.341Nc1ccc2ccc3cccc4ccc1c2c34
Name:N-1-AMINOPYRENE
ChEMBL: CHEMBL400756
ZINC: ZINC000001504382
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).