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BioLiP

PDB CCD ID: ZXI
Number of entries in BioLiP: 1
Chemical formula: C7 H8 I N
InChI: InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKey: KCGZGJOBKAXVSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1CN)I
CACTVS 3.385NCc1ccc(I)cc1
ACDLabs 12.01C(c1ccc(cc1)I)N
Name:1-(4-iodophenyl)methanamine;
4-Iodobenzylamine
ZINC: ZINC000002563302
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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