SEQ2FUN

BioLiP

PDB CCD ID: 02N
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N
InChI: InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
InChIKey: HMTSWYPNXFHGEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NCc1ccc(cc1)C
CACTVS 3.370Cc1ccc(CN)cc1
OpenEye OEToolkits 1.7.2Cc1ccc(cc1)CN
Name:1-(4-methylphenyl)methanamine
ChEMBL: CHEMBL273483
ZINC: ZINC000001680684
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).