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BioLiP Library

PDB CCD ID: 6HX
Number of entries in BioLiP: 1
Chemical formula: C13 H12 Cl N
InChI: InChI=1S/C13H12ClN/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14/h2-8H,15H2,1H3
InChIKey: QLKVQWRDOWGQQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1ccc(cc1c2ccccc2Cl)N
CACTVS 3.385Cc1ccc(N)cc1c2ccccc2Cl
ACDLabs 12.01Cc1c(cc(N)cc1)c2ccccc2Cl
Name:2'-chloro-6-methyl[1,1'-biphenyl]-3-amine
ChEMBL: CHEMBL3819345
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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