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BioLiP

PDB CCD ID: 1OX
Number of entries in BioLiP: 4
Chemical formula: C16 H12 N4 O
InChI: InChI=1S/C16H12N4O/c21-16-9-12(18-15-7-3-4-8-20(15)16)10-19-11-17-13-5-1-2-6-14(13)19/h1-9,11H,10H2
InChIKey: BCWFSHAZZLFCIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2C=C(N=C1C=CC=CN12)Cn3c4ccccc4nc3
OpenEye OEToolkits 1.7.6c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3
CACTVS 3.370O=C1C=C(Cn2cnc3ccccc23)N=C4C=CC=CN14
Name:2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
ChEMBL: CHEMBL2386916
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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