SEQ2FUN

BioLiP

PDB CCD ID: 0SW
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N3
InChI: InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-17-16-14-8-4-5-9-15(14)18-12-19-16/h1-9,12H,10-11H2,(H,17,18,19)
InChIKey: YKOSADJQCBRMRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1c(cccc1)c(nc2)NCCc3ccccc3
CACTVS 3.370C(Cc1ccccc1)Nc2ncnc3ccccc23
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCNc2c3ccccc3ncn2
Name:N-(2-phenylethyl)quinazolin-4-amine
ChEMBL: CHEMBL117804
ZINC: ZINC000000071700
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).