SEQ2FUN

BioLiP

PDB CCD ID: B40
Number of entries in BioLiP: 6
Chemical formula: C10 H15 N
InChI: InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
InChIKey: MYWUZJCMWCOHBA-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](Cc1ccccc1)NC
ACDLabs 10.04N(C(Cc1ccccc1)C)C
CACTVS 3.341CN[CH](C)Cc1ccccc1
CACTVS 3.341CN[C@@H](C)Cc1ccccc1
OpenEye OEToolkits 1.5.0CC(Cc1ccccc1)NC
Name:(2S)-N-methyl-1-phenylpropan-2-amine;
Methamphetamine
ChEMBL: CHEMBL1201201
DrugBank: DB01577
ZINC: ZINC000006021043
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).