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BioLiP

PDB CCD ID: QPP
Number of entries in BioLiP: 2
Chemical formula: C18 H15 N5
InChI: InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
InChIKey: JYCUVOXSZBECAY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)c4ccccc4
CACTVS 3.341Cc1[nH]nc(Nc2nc(nc3ccccc23)c4ccccc4)c1
ACDLabs 10.04n2c(Nc1nnc(c1)C)c4ccccc4nc2c3ccccc3
Name:N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE;
5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
ChEMBL: CHEMBL359482
DrugBank: DB08454
ZINC: ZINC000016052235
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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