SEQ2FUN

BioLiP

PDB CCD ID: 2UP
Number of entries in BioLiP: 2
Chemical formula: C11 H10 N2
InChI: InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
InChIKey: URXJHZXEUUFNKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC(=N)c1ccc2ccccc2c1
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)C(=N)N
ACDLabs 12.01[N@H]=C(N)c2ccc1c(cccc1)c2
OpenEye OEToolkits 1.7.6[H]/N=C(\c1ccc2ccccc2c1)/N
Name:naphthalene-2-carboximidamide
ChEMBL: CHEMBL105171
ZINC: ZINC000001442764
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).