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BioLiP

PDB CCD ID: WOE
Number of entries in BioLiP: 2
Chemical formula: C11 H10 Cl N3 O
InChI: InChI=1S/C11H10ClN3O/c1-16-9-5-3-2-4-7(9)8-6-10(12)15-11(13)14-8/h2-6H,1H3,(H2,13,14,15)
InChIKey: SYQGHXNIIBJJKO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1COc1ccccc1c2cc(nc(n2)N)Cl
CACTVS 3.352COc1ccccc1c2cc(Cl)nc(N)n2
ACDLabs 10.04Clc2nc(nc(c1c(OC)cccc1)c2)N
Name:4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE
ChEMBL: CHEMBL1236713
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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