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BioLiP

PDB CCD ID: V5I
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N
InChI: InChI=1S/C11H17N/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8,12H2,1-3H3
InChIKey: HIPCYWMUINHLFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(C)(C)Cc1ccccc1C
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccccc1CC(C)(C)N
Name:2-methyl-1-(2-methylphenyl)propan-2-amine
ZINC: ZINC000006071871
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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