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BioLiP Library

PDB CCD ID: 9OF
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N3 O
InChI: InChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18)
InChIKey: JWHJIHHTDSIYQK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C
ACDLabs 12.01c23c(c1ccc(cc1CC2(C)C)OC)ncnc3N
CACTVS 3.385COc1ccc2c(CC(C)(C)c3c(N)ncnc23)c1
Name:8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine
ChEMBL: CHEMBL4741586
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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