SEQ2FUN

BioLiP

PDB CCD ID: GJZ
Number of entries in BioLiP: 3
Chemical formula: C9 H11 N
InChI: InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
InChIKey: AELCINSCMGFISI-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)[C@@H]2C[C@H]2N
CACTVS 3.370N[CH]1C[CH]1c2ccccc2
ACDLabs 12.01c1cccc(c1)C2CC2N
OpenEye OEToolkits 1.7.0c1ccc(cc1)C2CC2N
CACTVS 3.370N[C@@H]1C[C@H]1c2ccccc2
Name:(1R,2S)-2-phenylcyclopropanamine
ChEMBL: CHEMBL1179
ZINC: ZINC000001482197
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).