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CHEBI:90286 - STAT3 inhibitor peptide

ChEBI IDCHEBI:90286
ChEBI NameSTAT3 inhibitor peptide
Stars
DefinitionA linear eighteen-membered polypeptide comprising the sequence Pro-Tyr-(PO3H2)-Leu-Lys-Thr-Lys-Ala-Ala-Val-Leu-Leu-Pro-Val-Leu-Leu-Ala-Ala-Pro.
Last Modified23 November 2015
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC92H157N20O24P
Net Charge0
Average Mass1958.358
Monoisotopic Mass1957.14172
SMILESCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C92H157N20O24P/c1-47(2)41-64(81(120)98-55(16)76(115)99-57(18)90(129)112-40-26-31-71(112)92(131)132)102-83(122)66(43-49(5)6)105-88(127)73(53(13)14)109-86(125)70-30-25-39-111(70)91(130)69(45-51(9)10)107-84(123)67(44-50(7)8)106-87(126)72(52(11)12)108-77(116)56(17)96-75(114)54(15)97-79(118)62(27-20-22-36-93)101-89(128)74(58(19)113)110-80(119)63(28-21-23-37-94)100-82(121)65(42-48(3)4)103-85(124)68(104-78(117)61-29-24-38-95-61)46-59-32-34-60(35-33-59)136-137(133,134)135/h32-35,47-58,61-74,95,113H,20-31,36-46,93-94H2,1-19H3,(H,96,114)(H,97,118)(H,98,120)(H,99,115)(H,100,121)(H,101,128)(H,102,122)(H,103,124)(H,104,117)(H,105,127)(H,106,126)(H,107,123)(H,108,116)(H,109,125)(H,110,119)(H,131,132)(H2,133,134,135)/t54-,55-,56-,57-,58+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
InChIKeyHOHAPMKVMBAUGG-SBEAHFELSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
STAT3 inhibitor  An inhibitor of signal transducer and activator of transcription 3 (STAT3)
ChEBI Ontology
Outgoing Relation(s)
STAT3 inhibitor peptide (CHEBI:90286) has role STAT3 inhibitor (CHEBI:87183)
STAT3 inhibitor peptide (CHEBI:90286) is a polypeptide (CHEBI:15841)
IUPAC Name 
L-prolyl-O-phosphono-L-tyrosyl-L-leucyl-L-lysyl-L-threonyl-L-lysyl-L-alanyl-L-alanyl-L-valyl-L-leucyl-L-leucyl-L-prolyl-L-valyl-L-leucyl-L-leucyl-L-alanyl-L-alanyl-L-proline
Synonyms  Source
H-Pro-Tyr-(PO3H2)-Leu-Lys-Thr-Lys-Ala-Ala-Val-Leu-Leu-Pro-Val-Leu-Leu-Ala-Ala-Pro-OHChEBI
Pro-Tyr-(PO3H2)-Leu-Lys-Thr-Lys-Ala-Ala-Val-Leu-Leu-Pro-Val-Leu-Leu-Ala-Ala-ProChEBI
ProTyr(PO3H2)LeuLysThrLysAlaAlaValLeuLeuProValLeuLeuAlaAlaProChEBI
PY(p)LKTKAAVLLPVLLAAPChEBI
L-Pro-L-Tyr-(PO3H2)-L-Leu-L-Lys-L-Thr-L-Lys-L-Ala-L-Ala-L-Val-L-Leu-L-Leu-L-Pro-L-Val-L-Leu-L-Leu-L-Ala-L-Ala-L-ProChEBI
Citations