SEQ2FUN

BioLiP

PDB CCD ID: PZH
Number of entries in BioLiP: 4
Chemical formula: C7 H8 Br N
InChI: InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKey: XRNVSPDQTPVECU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Brc1ccc(cc1)CN
CACTVS 3.341NCc1ccc(Br)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CN)Br
Name:1-(4-BROMOPHENYL)METHANAMINE;
4-BROMOBENZYLAMINE
ChEMBL: CHEMBL138621
ZINC: ZINC000000404752
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).