SEQ2FUN

BioLiP

PDB CCD ID: L3Z
Number of entries in BioLiP: 1
Chemical formula: C24 H22 N4 O2
InChI: InChI=1S/C24H22N4O2/c29-23-17-12-13-25-20(16-17)18-8-2-5-11-22(18)30-15-7-1-6-14-28-21-10-4-3-9-19(21)26-24(28)27-23/h2-5,8-13,16H,1,6-7,14-15H2,(H,26,27,29)
InChIKey: HZCFGMWNKNGYOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn5
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2
Name:8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
ChEMBL: CHEMBL4519157

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).