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BioLiP Library

PDB CCD ID: 7ME
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N4
InChI: InChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1
InChIKey: GXOHKQZNOVLQOK-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@H]1CCc2c(nc(nc2N)N)C1
CACTVS 3.370C[C@H]1CCc2c(N)nc(N)nc2C1
OpenEye OEToolkits 1.7.0CC1CCc2c(nc(nc2N)N)C1
CACTVS 3.370C[CH]1CCc2c(N)nc(N)nc2C1
ACDLabs 12.01n1c2c(c(nc1N)N)CCC(C2)C
Name:(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
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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