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BioLiP

PDB CCD ID: 5D0
Number of entries in BioLiP: 1
Chemical formula: C25 H32 N4 O2
InChI: InChI=1S/C25H32N4O2/c1(2-18-30-22-10-6-20(7-11-22)24-26-14-4-15-27-24)3-19-31-23-12-8-21(9-13-23)25-28-16-5-17-29-25/h6-13H,1-5,14-19H2,(H,26,27)(H,28,29)
InChIKey: KPYLNHFSSDNDFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C(CCOc1ccc(cc1)C2=NCCCN2)CCOc3ccc(cc3)C4=NCCCN4
ACDLabs 12.01C(Oc2ccc(C=1NCCCN=1)cc2)CCCCOc3ccc(cc3)C4=NCCCN4
OpenEye OEToolkits 1.9.2c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4
Name:2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine
ChEMBL: CHEMBL3765514
ZINC: ZINC000143824502
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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