SEQ2FUN

BioLiP

PDB CCD ID: EZI
Number of entries in BioLiP: 8
Chemical formula: C18 H15 N3 O2
InChI: InChI=1S/C18H15N3O2/c1-11(2)17-20-16-9-14(22)7-8-15(16)18(23)21(17)13-5-3-12(10-19)4-6-13/h3-9,11,22H,1-2H3
InChIKey: JFPXRFIBKKSHGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)C1=Nc2cc(O)ccc2C(=O)N1c3ccc(cc3)C#N
OpenEye OEToolkits 2.0.7CC(C)C1=Nc2cc(ccc2C(=O)N1c3ccc(cc3)C#N)O
Name:4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile;
Vanilloid receptor antagonist 1 ;
Libvatrep
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).