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BioLiP

PDB CCD ID: 4MQ
Number of entries in BioLiP: 2
Chemical formula: C14 H18 N4
InChI: InChI=1S/C14H18N4/c1-17-7-4-8-18(10-9-17)14-12-5-2-3-6-13(12)15-11-16-14/h2-3,5-6,11H,4,7-10H2,1H3
InChIKey: BZBWHBGXCGIIRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1c3c(c(nc1)N2CCCN(C)CC2)cccc3
CACTVS 3.370CN1CCCN(CC1)c2ncnc3ccccc23
OpenEye OEToolkits 1.7.2CN1CCCN(CC1)c2c3ccccc3ncn2
Name:4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE
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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