QEG/PRD_001060
N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE
QEG/PRD_001060 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 3TSK.
Find entries where PRD_001060 is present
Chemical Component Summary | |
---|---|
Name | N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE |
Identifiers | (4S)-5-azanyl-4-[[(2S)-5-azanyl-5-oxidanylidene-2-[3-[4-(4-phenylthiophen-2-yl)phenyl]propanoylamino]pentanoyl]amino]-5-oxidanylidene-pentanoic acid |
Formula | C29 H32 N4 O6 S |
Molecular Weight | 564.653 |
Type | NON-POLYMER |
Isomeric SMILES | c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N |
InChI | InChI=1S/C29H32N4O6S/c30-25(34)13-11-23(29(39)33-22(28(31)38)12-15-27(36)37)32-26(35)14-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,34)(H2,31,38)(H,32,35)(H,33,39)(H,36,37)/t22-,23-/m0/s1 |
InChIKey | KGPPRBTYRFIDAL-GOTSBHOMSA-N |
Composition | Polymer Sequences: 03J-GLN-GLU-NH2 |
BIRD class | INHIBITOR |
Represented As | SINGLE MOLECULE |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 72 |
Chiral Atom Count | 2 |
Bond Count | 74 |
Aromatic Bond Count | 17 |
Related Resource References
Resource Name | Reference |
---|---|
Pharos | CHEMBL3675596 |
PubChem | 50991592 |
ChEMBL | CHEMBL3675596 |