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BioLiP

PDB CCD ID: FRD
Number of entries in BioLiP: 0
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-/m1/s1
InChIKey: KWTSXDURSIMDCE-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(Cc1ccccc1)N
ACDLabs 10.04NC(Cc1ccccc1)C
OpenEye OEToolkits 1.5.0C[C@H](Cc1ccccc1)N
CACTVS 3.341C[CH](N)Cc1ccccc1
CACTVS 3.341C[C@@H](N)Cc1ccccc1
Name:1-PHENYL-2-AMINOPROPANE
ChEMBL: CHEMBL19393
ZINC: ZINC000006036847
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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