SEQ2FUN

BioLiP

PDB CCD ID: 7JP
Number of entries in BioLiP: 1
Chemical formula: C26 H23 F N4 O2
InChI: InChI=1S/C26H23FN4O2/c27-21-6-4-18(5-7-21)20-14-22-25(24(32)15-20)29-17-31(26(22)33)12-3-1-2-11-30-13-9-19-16-28-10-8-23(19)30/h4-10,13-17,32H,1-3,11-12H2
InChIKey: GPNCJRAIQDHNTC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(cc2C(=O)N(CCCCCn3ccc4cnccc34)C=Nc12)c5ccc(F)cc5
OpenEye OEToolkits 2.0.6c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F
Name:6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one;
6-(4-fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-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).