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BioLiP

PDB CCD ID: C2M
Number of entries in BioLiP: 2
Chemical formula: C11 H10 Cl2 N4
InChI: InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
InChIKey: VQJHOPSWBGJHQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2
ACDLabs 10.04Clc2ccc(c1c(nc(nc1C)N)N)cc2Cl
OpenEye OEToolkits 1.5.0Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl
Name:5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE;
METOPRINE;
METHODICHLOROPHEN
ChEMBL: CHEMBL264373
DrugBank: DB04655
ZINC: ZINC000000001723
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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