SEQ2FUN

BioLiP

PDB CCD ID: 6UP
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3
InChI: InChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)
InChIKey: JXOUQPJAWDJHOP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2ccc(cc2c(c1)N)C(=N)N
CACTVS 3.370NC(=N)c1ccc2cccc(N)c2c1
ACDLabs 12.01[N@H]=C(c1cc2c(cc1)cccc2N)N
OpenEye OEToolkits 1.7.6[H]/N=C(\c1ccc2cccc(c2c1)N)/N
Name:8-aminonaphthalene-2-carboximidamide
ChEMBL: CHEMBL319264
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).