SEQ2FUN

BioLiP

PDB CCD ID: LAV
Number of entries in BioLiP: 0
Chemical formula: C11 H24 N2 O2
InChI: InChI=1S/C11H24N2O2/c1-7(2)5-9(12)6-13-10(8(3)4)11(14)15/h7-10,13H,5-6,12H2,1-4H3,(H,14,15)/t9-,10-/m0/s1
InChIKey: NPTLVLDJKIEXJU-UWVGGRQHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)O)N
OpenEye OEToolkits 1.7.0CC(C)CC(CNC(C(C)C)C(=O)O)N
ACDLabs 12.01O=C(O)C(NCC(N)CC(C)C)C(C)C
CACTVS 3.370CC(C)C[C@H](N)CN[C@@H](C(C)C)C(O)=O
CACTVS 3.370CC(C)C[CH](N)CN[CH](C(C)C)C(O)=O
Name:N-[(2S)-2-amino-4-methylpentyl]-L-valine
ZINC: ZINC000098209103
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).