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BioLiP

PDB CCD ID: 0CK
Number of entries in BioLiP: 6
Chemical formula: C19 H20 F N5
InChI: InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
InChIKey: WUDBUIUHVNECTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F
CACTVS 3.370Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCCCC4
ACDLabs 12.01Fc4ccc(c1ncn(c1c2nc(ncc2)N)C3CCCCC3)cc4
Name:4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine
ChEMBL: CHEMBL1951415
ZINC: ZINC000038237880
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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