SEQ2FUN

BioLiP

PDB CCD ID: 4ZY
Number of entries in BioLiP: 3
Chemical formula: C7 H10 N2
InChI: InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
InChIKey: BFWYZZPDZZGSLJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		NCc1ccc(N)cc1
OpenEye OEToolkits 1.9.2c1cc(ccc1CN)N
Name:4-(aminomethyl)aniline
ChEMBL: CHEMBL148476
ZINC: ZINC000000389785
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).