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BioLiP

PDB CCD ID: LEE
Number of entries in BioLiP: 2
Chemical formula: C16 H29 N3 O6 S
InChI: InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1
InChIKey: HXJDWCWJDCOHDG-RYUDHWBXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
ACDLabs 12.01O=C(NC(C(=O)NCC(=O)O)CSCCCCCC)CCC(C(=O)O)N
CACTVS 3.370CCCCCCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
CACTVS 3.370CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 1.7.0CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Name:L-gamma-glutamyl-S-hexyl-L-cysteinylglycine
ChEMBL: CHEMBL345292
DrugBank: DB04132
ZINC: ZINC000003874923
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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