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BioLiP

PDB CCD ID: LUM
Number of entries in BioLiP: 4
Chemical formula: C12 H10 N4 O2
InChI: InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKey: ZJTJUVIJVLLGSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3
CACTVS 3.341Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
ACDLabs 10.04O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C
Name:LUMICHROME;
7,8-DIMETHYLALLOXAZINE;
6,7-DIMETHYLALLOXAZINE
ChEMBL: CHEMBL1234101
DrugBank: DB04345
ZINC: ZINC000012446789
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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