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BioLiP

PDB CCD ID: YGL
Number of entries in BioLiP: 4
Chemical formula: C18 H14 N4 O
InChI: InChI=1S/C18H14N4O/c19-18-21-16-14(17(23)22-18)13(11-7-3-1-4-8-11)15(20-16)12-9-5-2-6-10-12/h1-10H,(H4,19,20,21,22,23)
InChIKey: XTJRPOFKSXCKPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)c4ccccc4
CACTVS 3.385NC1=Nc2[nH]c(c3ccccc3)c(c4ccccc4)c2C(=O)N1
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N
Name:2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
ChEMBL: CHEMBL3318808
ZINC: ZINC000222800861
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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