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BioLiP

PDB CCD ID: Q1Q
Number of entries in BioLiP: 3
Chemical formula: C14 H15 N3
InChI: InChI=1S/C14H15N3/c15-12-6-7-13-11(8-12)9-16-14(17-13)10-4-2-1-3-5-10/h1-5,9,12H,6-8,15H2/t12-/m1/s1
InChIKey: DBOFAIZAMCFPNL-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc3c(n2)CC[C@H](C3)N
CACTVS 3.385N[C@@H]1CCc2nc(ncc2C1)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc3c(n2)CCC(C3)N
CACTVS 3.385N[CH]1CCc2nc(ncc2C1)c3ccccc3
Name:(6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine
ZINC: ZINC000020286073
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).
  • 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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