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BioLiP

PDB CCD ID: NNY
Number of entries in BioLiP: 0
Chemical formula: C6 H7 Cl N2
InChI: InChI=1S/C6H7ClN2/c7-5-1-2-9-6(3-5)4-8/h1-3H,4,8H2
InChIKey: FZCYDUZIHRNWSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCc1cc(Cl)ccn1
OpenEye OEToolkits 1.7.2c1cnc(cc1Cl)CN
ACDLabs 12.01Clc1ccnc(c1)CN
Name:1-(4-chloropyridin-2-yl)methanamine
ChEMBL: CHEMBL4588770
ZINC: ZINC000039051096
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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