Reaction Details Report a problem with these data
Target
Acetyl-CoA carboxylase
Ligand
BDBM559873
Substrate
n/a
Meas. Tech.
ACCase Enzymatic Assay
IC50
12860±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:
BDBM559873
Synonyms:
US11375716, Formula Ia-ii-e1
Type:
Small organic molecule
Emp. Form.:
C19H11F3N2O2S2
Mol. Mass.:
420.428
SMILES:
OC(=O)[C@H](Sc1nc(cc(c1C#N)C(F)(F)F)-c1cccs1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: