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Target
Acetyl-CoA carboxylase
Ligand
BDBM559878
Substrate
n/a
Meas. Tech.
ACCase Enzymatic Assay
IC50
480±n/a nM
Citation
 Slomczynska, U; Dimmic, MW; Haakenson, Jr., WP; Bennett, JL; Shortt, BJ; Taylor, CM; Williams, DJ; Slater, M Acetyl-CoA carboxylase modulators US Patent  US11375716 Publication Date 7/5/2022 
Target
Name:
Acetyl-CoA carboxylase
Synonyms:
A0A0D1DYD5_USTMA
Type:
Protein
Mol. Mass.:
240051.72
Organism:
Corn smut fungus
Description:
A0A0D1DYD5
Residue:
2185
Sequence:
MPPPDHKAVSQFIGGNPLETAPASPVADFIRKQGGHSVITKVLICNNGIAAVKEIRSIRKWAYETFGDERAIEFTVMATPEDLKVNADYIRMADQYVEVPGGSNNNNYANVDLIVDVAERAGVHAVWAGWGHASENPRLPESLAASKHKIIFIGPPGSAMRSLGDKISSTIVAQHADVPCMPWSGTGIKETMMSDQGFLTVSDDVYQQACIHTAEEGLEKAEKIGYPVMIKASEGGGGKGIRKCTNGEEFKQLYNAVLGEVPGSPVFVMKLAGQARHLEVQLLADQYGNAISIFGRDCSVQRRHQKIIEEAPVTIAPEDARESMEKAAVRLAKLVGYVSAGTVEWLYSPESGEFAFLELNPRLQVEHPTTEMVSGVNIPAAQLQVAMGIPLYSIRDIRTLYGMDPRGNEVIDFDFSSPESFKTQRKPQPQGHVVACRITAENPDTGFKPGMGALTELNFRSSTSTWGYFSVGTSGALHEYADSQFGHIFAYGADRSEARKQMVISLKELSIRGDFRTTVEYLIKLLETDAFESNKITTGWLDGLIQDRLTAERPPADLAVICGAAVKAHLLARECEDEYKRILNRGQVPPRDTIKTVFSIDFIYENVKYNFTATRSSVSGWVLYLNGGRTLVQLRPLTDGGLLIGLSGKSHPVYWREEVGMTRLMIDSKTCLIEQENDPTQIRSPSPGKLVRFLVDSGDHVKANQAIAEIEVMKMYLPLVAAEDGVVSFVKTAGVALSPGDIIGILSLDDPSRVQHAKPFAGQLPDFGMPVIVGNKPHQRYTALVEVLNDILDGYDQSFRMQAVIKELIETLRNPELPYGQASQILSSLGGRIPARLEDVVRNTIEMGHSKNIEFPAARLRKLTENFLRDSVDPAIRGQVQITIAPLYQLFETYAGGLKAHEGNVLASFLQKYYEVESQFTGEADVVLELRLQADGDLDKVVALQTSRNGINRKNALLLTLLDKHIKGTSLVSRTSGATMIEALRKLASLQGKSTAPIALKAREVSLDADMPSLADRSAQMQAILRGSVTSSKYGGDDEYHAPSLEVLRELSDSQYSVYDVLHSFFGHREHHVAFAALCTYVVRAYRAYEIVNFDYAVEDFDVEERAVLTWQFQLPRSASSLKERERQVSISDLSMMDNNRRARPIRELRTGAMTSCADVADIPELLPKVLKFFKSSAGASGAPINVLNVAVVDQTDFVDAEVRSQLALYTNACSKEFSAARVRRVTYLLCQPGLYPFFATFRPNEQGIWSEEKAIRNIEPALAYQLELDRVSKNFELTPVPVSSSTIHLYFARGIQNSADTRFFVRSLVRPGRVQGDMAAYLISESDRIVNDILNVIEVALGQPEYRTADASHIFMSFIYQLDVSLVDVQKAIAGFLERHGTRFFRLRITGAEIRMILNGPNGEPRPIRAFVTNETGLVVRYETYEETVADDGSVILRGIEPQGKDATLNAQSAHFPYTTKVALQSRRSRAHALQTTFVYDFIDVLGQAVRASWRKVAASKIPGDVIKSAVELVFDEQENLREVKRAPGMNNIGMVAWLVEVLTPEYPAGRKLVVIGNDVTIQAGSFGPVEDRFFAAASKLARELGVPRLYISANSGARIGLATEALDLFKVKFVGDDPAKGFEYIYLDDESLQAVQAKAPNSVMTKPVQAADGSVHNIITDIIGKPQGGLGVECLSGSGLIAGETSRAKDQIFTATIITGRSVGIGAYLARLGERVIQVEGSPLILTGYQALNKLLGREVYTSNLQLGGPQIMYKNGVSHLTAQDDLDAVRSFVNWISYVPAQRGGPLPIMPTTDSWDRAVTYQPPRGPYDPRWLINGTKAEDGTKLTGLFDEGSFVETLGGWATSVVTGRARLGGIPVGVIAVETRTLERVVPADPANPNSTEQRIMEAGQVWYPNSAYKTAQAIWDFDKEGLPLVILANWRGFSGGQQDMYDEILKQGSKIVDGLSSYKQPVFVHIPPMGELRGGSWVVVDSAINDNGMIEMSADVNSARGGVLEASGLVEIKYRADKQRATMERLDSVYAKLSKEAAEATDFTAQTTARKALAEREKQLAPIFTAIATEYADAHDRAGRMLATGVLRSALPWENARRYFYWRLRRRLTEVAAERTVGEANPTLKHVERLAVLRQFVGAAASDDDKAVAEHLEASADQLLAASKQLKAQYILAQISTLDPELRAQLAASLK
  
Inhibitor
Name:
BDBM559878
Synonyms:
US11375716, Formula Ia-xiv-e2
Type:
Small organic molecule
Emp. Form.:
C25H18N2O3S2
Mol. Mass.:
458.552
SMILES:
COc1ccc(cc1)-c1cc(nc(S[C@H](C(O)=O)c2ccccc2)c1C#N)-c1cccs1 |r|
Structure:
Search PDB for entries with ligand similarity: