SEQ2FUN

BioLiP

PDB CCD ID: Q00
Number of entries in BioLiP: 0
Chemical formula: C19 H24 N2 O2
InChI: InChI=1S/C19H24N2O2/c20-17(13-15-7-3-1-4-8-15)11-12-21-18(19(22)23)14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14,20H2,(H,22,23)/t17-,18+/m1/s1
InChIKey: SVTKCQQHQNLSOX-MSOLQXFVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(CCNC(Cc2ccccc2)C(=O)O)N
CACTVS 3.370N[CH](CCN[CH](Cc1ccccc1)C(O)=O)Cc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@@H](CCN[C@@H](Cc2ccccc2)C(=O)O)N
CACTVS 3.370N[C@H](CCN[C@@H](Cc1ccccc1)C(O)=O)Cc2ccccc2
ACDLabs 12.01O=C(O)C(NCCC(N)Cc1ccccc1)Cc2ccccc2
Name:N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine
ZINC: ZINC000098209328
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).