SEQ2FUN

BioLiP

PDB CCD ID: A1BDN
Number of entries in BioLiP: 1
Chemical formula: C12 H14 N2 O
InChI: InChI=1S/C12H14N2O/c15-11-9-5-1-2-6-10(9)13-12(14-11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2,(H,14,15)
InChIKey: BGYVTOPASJGSEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)C(=O)NC3(N2)CCCC3
CACTVS 3.385O=C1NC2(CCCC2)Nc3ccccc13
ACDLabs 14.52O=C1NC2(CCCC2)Nc2ccccc12
Name:1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one
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).