SEQ2FUN

BioLiP

PDB CCD ID: 2QV
Number of entries in BioLiP: 1
Chemical formula: C14 H10 Cl N3
InChI: InChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
InChIKey: NFVSMRPXCHVTAG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncnc2ccc(cc12)c3cccc(Cl)c3
OpenEye OEToolkits 1.7.6c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N
ACDLabs 12.01Clc3cccc(c2cc1c(ncnc1N)cc2)c3
Name:6-(3-chlorophenyl)quinazolin-4-amine
ChEMBL: CHEMBL3262583
ZINC: ZINC000098208243
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).