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BioLiP

PDB CCD ID: PQD
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N6
InChI: InChI=1S/C17H16N6/c18-11-3-1-2-10(8-11)9-23-7-6-12-14(23)5-4-13-15(12)16(19)22-17(20)21-13/h1-8H,9,18H2,(H4,19,20,21,22)
InChIKey: DNYUNVSBWOHMOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc(Cn2ccc3c2ccc4nc(N)nc(N)c34)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N
ACDLabs 12.01c1c(N)cccc1Cn4c3ccc2nc(N)nc(c2c3cc4)N
Name:7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-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).
  • 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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