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BioLiP

PDB CCD ID: QG5
Number of entries in BioLiP: 2
Chemical formula: C18 H15 N5 O2
InChI: InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25)
InChIKey: ZHMCGBRGDVCXLS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1n2c(c(c3c2nc4ccccc4n3)C(=O)N)N)O
ACDLabs 12.01NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C
CACTVS 3.385Cc1ccc(O)cc1n2c(N)c(C(N)=O)c3nc4ccccc4nc23
Name:(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
ChEMBL: CHEMBL3321809
ZINC: ZINC000299834742
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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