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BioLiP Library

PDB CCD ID: L23
Number of entries in BioLiP: 2
Chemical formula: C15 H13 Cl2 N5
InChI: InChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21)
InChIKey: CKSSZTMRRVJNNG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1c(c(Cl)ccc1)Cn2cc(nc2C)c3nc(ncc3)N
CACTVS 3.352Cc1nc(cn1Cc2c(Cl)cccc2Cl)c3ccnc(N)n3
OpenEye OEToolkits 1.6.1Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N
Name:4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
ChEMBL: CHEMBL1233922
DrugBank: DB08076
ZINC: ZINC000002557486
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)(download the PDF file).
  • 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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