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CHEBI:231659 - CP2

Default Structure
ChEBI IDCHEBI:231659
ChEBI NameCP2
Stars
DefinitionCP2 is a cyclic peptide that inhibits the JmjC histone demethylases KDM4 with IC50 values of 42 nM and 29 nM for KDM4A and KDM4C, respectively.
Submitterruixy
DownloadsMolfile
FormulaC92H120N24O26S
Net Charge0
Average Mass2010.181
Monoisotopic Mass2008.85263
SMILESCC(C)C1/N=C(/O)C(Cc2ccc(O)cc2)NNC(CC(=O)O)C(=O)C(=O)CSCC(C(=O)O)/N=C(/O)C(C(C)O)/N=C(/O)C(Cc2ccc(O)cc2)/N=C(/O)C(Cc2cnc3ccccc23)/N=C(/O)C(CCCNC(=N)N)/N=C(/O)C(Cc2cnc3ccccc23)/N=C(/O)C/N=C(/O)C(CO)/N=C(/O)C(CCCNC(=N)N)/N=C(/O)C(C(C)O)/N=C(/O)C(CC(=N)O)/N=C(/O)C(Cc2ccc(O)cc2)/N=C\1O
InChIInChI=1S/C92H120N24O26S/c1-44(2)74-87(138)109-62(31-47-17-23-52(120)24-18-47)81(132)108-66(36-71(93)124)85(136)114-75(45(3)118)88(139)105-60(16-10-30-99-92(96)97)80(131)110-68(41-117)78(129)102-40-72(125)103-64(34-50-38-100-57-13-7-5-11-55(50)57)82(133)104-59(15-9-29-98-91(94)95)79(130)107-65(35-51-39-101-58-14-8-6-12-56(51)58)83(134)106-63(32-48-19-25-53(121)26-20-48)84(135)113-76(46(4)119)89(140)111-69(90(141)142)42-143-43-70(123)77(128)61(37-73(126)127)115-116-67(86(137)112-74)33-49-21-27-54(122)28-22-49/h5-8,11-14,17-28,38-39,44-46,59-69,74-76,100-101,115-122H,9-10,15-16,29-37,40-43H2,1-4H3,(H2,93,124)(H,102,129)(H,103,125)(H,104,133)(H,105,139)(H,106,134)(H,107,130)(H,108,132)(H,109,138)(H,110,131)(H,111,140)(H,112,137)(H,113,135)(H,114,136)(H,126,127)(H,141,142)(H4,94,95,98)(H4,96,97,99)
InChIKeyLHXZPGSWUKPLEX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
CP2 (CHEBI:231659) is a organic molecular entity (CHEBI:50860)
Synonym  Source
33-(2-amino-2-oxoethyl)-15,27-bis(3-carbamimidamidopropyl)-45-(carboxymethyl)-6,30-bis(1-hydroxyethyl)-24-(hydroxymethyl)-9,36,42-tris[(4-hydroxyphenyl)methyl]-12,18-bis(1H-indol-3-ylmethyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,46,47-pentadecaoxo-39-propan-2-yl-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43,44-pentadecazacyclooctatetracontane-3-carboxylic acidSUBMITTER