SEQ2FUN

BioLiP

PDB CCD ID: 98B
Number of entries in BioLiP: 3
Chemical formula: C8 H11 N
InChI: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
InChIKey: RQEUFEKYXDPUSK-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](N)c1ccccc1
OpenEye OEToolkits 1.9.2C[C@@H](c1ccccc1)N
ACDLabs 12.01NC(C)c1ccccc1
OpenEye OEToolkits 1.9.2CC(c1ccccc1)N
CACTVS 3.385C[C@H](N)c1ccccc1
Name:(1S)-1-phenylethanamine
ChEMBL: CHEMBL282700
ZINC: ZINC000006030374
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).