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BioLiP

PDB CCD ID: QSC
Number of entries in BioLiP: 4
Chemical formula: C8 H11 N
InChI: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@H](c1ccccc1)N
CACTVS 3.370C[CH](N)c1ccccc1
CACTVS 3.370C[C@@H](N)c1ccccc1
ACDLabs 12.01NC(c1ccccc1)C
OpenEye OEToolkits 1.7.6CC(c1ccccc1)N
Name:(1R)-1-phenylethanamine
ChEMBL: CHEMBL19969
ZINC: ZINC000006037146
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)(download the PDF file).
  • 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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