SEQ2FUN

BioLiP

PDB CCD ID: ISO
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N
InChI: InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
InChIKey: LRTFPLFDLJYEKT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)c1ccc(cc1)N
CACTVS 3.370CC(C)c1ccc(N)cc1
ACDLabs 12.01Nc1ccc(cc1)C(C)C
Name:PARA-ISOPROPYLANILINE
DrugBank: DB02114
ZINC: ZINC000001683362
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).