SEQ2FUN

BioLiP

PDB CCD ID: VI0
Number of entries in BioLiP: 1
Chemical formula: C18 H14 N4
InChI: InChI=1S/C18H14N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,19,20,22)
InChIKey: AODRLZOXZZRAOH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Nc1nc2N=C(c3ccccc3Cc2cn1)c1ccccc1
CACTVS 3.385Nc1ncc2Cc3ccccc3C(=Nc2n1)c4ccccc4
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)C2=Nc3c(cnc(n3)N)Cc4c2cccc4
Name:10-phenyl-5H-pyrimido[4,5-c][2]benzazepin-2-amine
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).