Reaction Details Report a problem with these data
Target
Maltase-glucoamylase
Ligand
BDBM50614755
Substrate
n/a
Meas. Tech.
ChEMBL_2298931
Ki
200±n/a nM
Citation
 Han Jeong, G; Cho, JH; Park, KI; Kim, K; Hoon Kim, T Enzymatic transformation of esculetin as a potent class of ?-glucosidase inhibitors. Bioorg Med Chem Lett 88:0 (2023) [PubMed] 
Target
Name:
Maltase-glucoamylase
Synonyms:
Alpha glucosidase | Alpha-1,4-glucosidase | Glucan 1,4-alpha-glucosidase | MGA | MGAM | MGAML | MGA_HUMAN | Maltase | Maltase-glucoamylase, intestinal | Synonyms=MGA
Type:
Enzyme
Mol. Mass.:
209817.06
Organism:
Homo sapiens (Human)
Description:
O43451
Residue:
2753
Sequence:
MARKKLKKFTTLEIVLSVLLLVLFIISIVLIVLLAKESLKSTAPDPGTTGTPDPGTTGTPDPGTTGTTHARTTGPPDPGTTGTTPVSAECPVVNELERINCIPDQPPTKATCDQRGCCWNPQGAVSVPWCYYSKNHSYHVEGNLVNTNAGFTARLKNLPSSPVFGSNVDNVLLTAEYQTSNRFHFKLTDQTNNRFEVPHEHVQSFSGNAAASLTYQVEISRQPFSIKVTRRSNNRVLFDSSIGPLLFADQFLQLSTRLPSTNVYGLGEHVHQQYRHDMNWKTWPIFNRDTTPNGNGTNLYGAQTFFLCLEDASGLSFGVFLMNSNAMEVVLQPAPAITYRTIGGILDFYVFLGNTPEQVVQEYLELIGRPALPSYWALGFHLSRYEYGTLDNMREVVERNRAAQLPYDVQHADIDYMDERRDFTYDSVDFKGFPEFVNELHNNGQKLVIIVDPAISNNSSSSKPYGPYDRGSDMKIWVNSSDGVTPLIGEVWPGQTVFPDYTNPNCAVWWTKEFELFHNQVEFDGIWIDMNEVSNFVDGSVSGCSTNNLNNPPFTPRILDGYLFCKTLCMDAVQHWGKQYDIHNLYGYSMAVATAEAAKTVFPNKRSFILTRSTFAGSGKFAAHWLGDNTATWDDLRWSIPGVLEFNLFGIPMVGPDICGFALDTPEELCRRWMQLGAFYPFSRNHNGQGYKDQDPASFGADSLLLNSSRHYLNIRYTLLPYLYTLFFRAHSRGDTVARPLLHEFYEDNSTWDVHQQFLWGPGLLITPVLDEGAEKVMAYVPDAVWYDYETGSQVRWRKQKVEMELPGDKIGLHLRGGYIFPTQQPNTTTLASRKNPLGLIIALDENKEAKGELFWDNGETKDTVANKVYLLCEFSVTQNRLEVNISQSTYKDPNNLAFNEIKILGTEEPSNVTVKHNGVPSQTSPTVTYDSNLKVAIITDIDLLLGEAYTVEWSIKIRDEEKIDCYPDENGASAENCTARGCIWEASNSSGVPFCYFVNDLYSVSDVQYNSHGATADISLKSSVYANAFPSTPVNPLRLDVTYHKNEMLQFKIYDPNKNRYEVPVPLNIPSMPSSTPEGQLYDVLIKKNPFGIEIRRKSTGTIIWDSQLLGFTFSDMFIRISTRLPSKYLYGFGETEHRSYRRDLEWHTWGMFSRDQPPGYKKNSYGVHPYYMGLEEDGSAHGVLLLNSNAMDVTFQPLPALTYRTTGGVLDFYVFLGPTPELVTQQYTELIGRPVMVPYWSLGFQLCRYGYQNDSEIASLYDEMVAAQIPYDVQYSDIDYMERQLDFTLSPKFAGFPALINRMKADGMRVILILDPAISGNETQPYPAFTRGVEDDVFIKYPNDGDIVWGKVWPDFPDVVVNGSLDWDSQVELYRAYVAFPDFFRNSTAKWWKREIEELYNNPQNPERSLKFDGMWIDMNEPSSFVNGAVSPGCRDASLNHPPYMPHLESRDRGLSSKTLCMESQQILPDGSLVQHYNVHNLYGWSQTRPTYEAVQEVTGQRGVVITRSTFPSSGRWAGHWLGDNTAAWDQLKKSIIGMMEFSLFGISYTGADICGFFQDAEYEMCVRWMQLGAFYPFSRNHNTIGTRRQDPVSWDAAFVNISRNVLQTRYTLLPYLYTLMQKAHTEGVTVVRPLLHEFVSDQVTWDIDSQFLLGPAFLVSPVLERNARNVTAYFPRARWYDYYTGVDINARGEWKTLPAPLDHINLHVRGGYILPWQEPALNTHLSRKNPLGLIIALDENKEAKGELFWDDGQTKDTVAKKVYLLCEFSVTQNHLEVTISQSTYKDPNNLAFNEIKILGMEEPSNVTVKHNGVPSQTSPTVTYDSNLKVAIITDINLFLGEAYTVEWSIKIRDEEKIDCYPDENGDSAENCTARGCIWEASNSSGVPFCYFVNDLYSVSDVQYNSHGATADISLKSSVHANAFPSTPVNPLRLDVTYHKNEMLQFKIYDPNNNRYEVPVPLNIPSVPSSTPEGQLYDVLIKKNPFGIEIRRKSTGTIIWDSQLLGFTFNDMFIRISTRLPSKYLYGFGETEHTSYRRDLEWHTWGMFSRDQPPGYKKNSYGVHPYYMGLEEDGSAHGVLLLNSNAMDVTFQPLPALTYRTTGGVLDFYVFLGPTPELVTQQYTELIGRPVMVPYWSLGFQLCRYGYQNDSEISSLYDEMVAAQIPYDVQYSDIDYMERQLDFTLSPKFAGFPALINRMKADGMRVILILDPAISGNETQPYPAFTRGVEDDVFIKYPNDGDIVWGKVWPDFPDVVVNGSLDWDSQVELYRAYVAFPDFFRNSTAKWWKREIEELYNNPQNPERSLKFDGMWIDMNEPSSFVNGAVSPGCRDASLNHPPYMPYLESRDRGLSSKTLCMESQQILPDGSPVQHYNVHNLYGWSQTRPTYEAVQEVTGQRGVVITRSTFPSSGRWAGHWLGDNTAAWDQLKKSIIGMMEFSLFGISYTGADICGFFQDAEYEMCVRWMQLGAFYPFSRNHNTIGTRRQDPVSWDVAFVNISRTVLQTRYTLLPYLYTLMHKAHTEGVTVVRPLLHEFVSDQVTWDIDSQFLLGPAFLVSPVLERNARNVTAYFPRARWYDYYTGVDINARGEWKTLPAPLDHINLHVRGGYILPWQEPALNTHLSRQKFMGFKIALDDEGTAGGWLFWDDGQSIDTYGKGLYYLASFSASQNTMQSHIIFNNYITGTNPLKLGYIEIWGVGSVPVTSVSISVSGMVITPSFNNDPTTQVLSIDVTDRNISLHNFTSLTWISTL
  
Inhibitor
Name:
BDBM50614755
Synonyms:
CHEMBL5271502
Type:
Small organic molecule
Emp. Form.:
C45H22O20
Mol. Mass.:
882.6442
SMILES:
Oc1cc2oc(=O)ccc2c(Oc2cc3oc(=O)ccc3c(c2O)-c2c(O)c(O)c(-c3c(O)c(O)c(-c4c(O)c(O)cc5oc(=O)ccc45)c4ccc(=O)oc34)c3ccc(=O)oc23)c1O |(-5.34,10.77,;-4,10,;-2.67,10.77,;-1.34,10.01,;-.01,10.78,;1.33,10.01,;2.66,10.78,;1.33,8.47,;-.01,7.7,;-1.34,8.47,;-2.67,7.7,;-2.67,6.16,;-1.33,5.39,;0,6.16,;1.33,5.39,;2.66,6.16,;4,5.39,;5.33,6.16,;4,3.85,;2.66,3.08,;1.33,3.85,;0,3.08,;-1.33,3.84,;-2.67,3.07,;0,1.54,;-1.33,.77,;-2.66,1.54,;-1.33,-.78,;-2.66,-1.55,;.01,-1.54,;.01,-3.08,;-1.33,-3.85,;-2.66,-3.08,;-1.33,-5.39,;-2.66,-6.17,;.01,-6.16,;.01,-7.7,;-1.33,-8.46,;-2.66,-7.69,;-1.33,-10,;-2.66,-10.77,;.01,-10.77,;1.34,-10.01,;2.67,-10.78,;4,-10.01,;5.34,-10.78,;4,-8.47,;2.67,-7.7,;1.34,-8.47,;1.34,-5.39,;2.67,-6.16,;4,-5.39,;4,-3.85,;5.34,-3.08,;2.67,-3.08,;1.34,-3.85,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;2.67,1.54,;1.33,.77,;-4,8.46,;-5.34,7.69,)|
Structure:
Search PDB for entries with ligand similarity: