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BioLiP Library

PDB CCD ID: N2Y
Number of entries in BioLiP: 30
Chemical formula: C9 H11 Cl N4
InChI: InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)
InChIKey: UEQZFAGVRGWPDK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(CN2CCNC2=N)cn1
OpenEye OEToolkits 1.7.6[H]/N=C\1/NCCN1Cc2ccc(nc2)Cl
ACDLabs 12.01Clc1ncc(cc1)CN2C(=[N@H])NCC2
OpenEye OEToolkits 1.7.6c1cc(ncc1CN2CCNC2=N)Cl
Name:(2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine
ChEMBL: CHEMBL309804
ZINC: ZINC000013474371
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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