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BioLiP

PDB CCD ID: 1WE
Number of entries in BioLiP: 4
Chemical formula: C9 H13 N
InChI: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
InChIKey: KWTSXDURSIMDCE-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(Cc1ccccc1)N
CACTVS 3.385C[C@H](N)Cc1ccccc1
ACDLabs 12.01NC(Cc1ccccc1)C
OpenEye OEToolkits 1.7.6C[C@@H](Cc1ccccc1)N
CACTVS 3.385C[CH](N)Cc1ccccc1
Name:(2S)-1-phenylpropan-2-amine;
Dextroamphetamine;
D-amphetamine;
Dexamphetamine;
Dexedrine;
Dextrostat
ChEMBL: CHEMBL612
DrugBank: DB01576
ZINC: ZINC000006021033
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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