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BioLiP

PDB CCD ID: 1Q4
Number of entries in BioLiP: 2
Chemical formula: C13 H16 N4 O
InChI: InChI=1S/C13H16N4O/c18-13-11-10(6-7-14-13)12(16-8-15-11)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,18)(H,15,16,17)
InChIKey: FCTPOQHJQPWBOI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O
ACDLabs 12.01O=C1c2ncnc(c2C=CN1)NC3CCCCC3
CACTVS 3.370O=C1NC=Cc2c(NC3CCCCC3)ncnc12
Name:4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one
ChEMBL: CHEMBL2434989
ZINC: ZINC000095921424
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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