SEQ2FUN

BioLiP

PDB CCD ID: 0QG
Number of entries in BioLiP: 4
Chemical formula: C17 H31 N3 O4
InChI: InChI=1S/C17H31N3O4/c1-6-10(2)12(16(23)24)19-14(21)11-8-7-9-20(11)15(22)13(18)17(3,4)5/h10-13H,6-9,18H2,1-5H3,(H,19,21)(H,23,24)/t10-,11-,12-,13+/m0/s1
InChIKey: SQVUEHPVMOLXQG-ZDEQEGDKSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NC(C(=O)O)C(C)CC)C1N(C(=O)C(N)C(C)(C)C)CCC1
CACTVS 3.341CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C)C(O)=O
CACTVS 3.341CC[CH](C)[CH](NC(=O)[CH]1CCCN1C(=O)[CH](N)C(C)(C)C)C(O)=O
Name:3-methyl-L-valyl-L-prolyl-L-isoleucine

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).