SEQ2FUN

BioLiP

PDB CCD ID: F7P
Number of entries in BioLiP: 0
Chemical formula: C16 H22 N2 O3
InChI: InChI=1S/C16H22N2O3/c1-10(19)16(2,3)18-9-11(8-13(17)15(20)21)12-6-4-5-7-14(12)18/h4-7,9-10,13,19H,8,17H2,1-3H3,(H,20,21)/t10-,13+/m1/s1
InChIKey: AMVINRFZGUCXTO-MFKMUULPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N)O
CACTVS 3.385C[C@@H](O)C(C)(C)n1cc(C[C@H](N)C(O)=O)c2ccccc12
ACDLabs 12.01C(C(N)C(O)=O)c2c1ccccc1n(c2)C(C(C)O)(C)C
CACTVS 3.385C[CH](O)C(C)(C)n1cc(C[CH](N)C(O)=O)c2ccccc12
OpenEye OEToolkits 2.0.6CC(C(C)(C)n1cc(c2c1cccc2)CC(C(=O)O)N)O
Name:1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
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).