SEQ2FUN

BioLiP

PDB CCD ID: 4DD
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N
InChI: InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m1/s1
InChIKey: WECUIGDEWBNQJJ-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(CCc1ccccc1)N
OpenEye OEToolkits 1.9.2C[C@H](CCc1ccccc1)N
ACDLabs 12.01C(CCc1ccccc1)(N)C
CACTVS 3.385C[CH](N)CCc1ccccc1
CACTVS 3.385C[C@@H](N)CCc1ccccc1
Name:(2R)-4-phenylbutan-2-amine
ZINC: ZINC000001665103
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).