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BioLiP

PDB CCD ID: 2WU
Number of entries in BioLiP: 3
Chemical formula: C10 H10 N6 O
InChI: InChI=1S/C10H10N6O/c1-12-10-14-6-2-4-5(3-7(6)15-10)13-9(11)16-8(4)17/h2-3H,1H3,(H2,12,14,15)(H3,11,13,16,17)
InChIKey: MRAWGMPHZYODAJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1[nH]c2cc3N=C(N)NC(=O)c3cc2n1
ACDLabs 12.01O=C2c3cc1nc(NC)nc1cc3N=C(N)N2
OpenEye OEToolkits 1.7.6CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N
Name:6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
ChEMBL: CHEMBL3298015
ZINC: ZINC000087722341
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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