Reaction Details  Report a problem with these data
Target
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)
Ligand
BDBM50116986
Substrate
n/a
Meas. Tech.
ChEBML_99589
IC50
4500±n/a nM
Citation
 Novak, KA; Fujii, N; Guy, RK Investigation of the PDZ domain ligand binding site using chemically modified peptides. Bioorg Med Chem Lett 12:2471-4 (2002) [PubMed]
Target
Name:
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)
Synonyms:
KIAA1634 | MAGI3 | MAGI3_HUMAN | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4) | Membrane-associated guanylate kinase-related 3 | Membrane-associated guanylate kinase-related 3 isoform 1
Type:
PROTEIN
Mol. Mass.:
165630.05
Organism:
Homo sapiens (Human)
Description:
ChEMBL_99591
Residue:
1506
Sequence:
MSKTLKKKKHWLSKVQECAVSWAGPPGDFGAEIRGGAERGEFPYLGRLREEPGGGTCCVVSGKAPSPGDVLLEVNGTPVSGLTNRDTLAVIRHFREPIRLKTVKPGKVINKDLRHYLSLQFQKGSIDHKLQQVIRDNLYLRTIPCTTRAPRDGEVPGVDYNFISVEQFKALEESGALLESGTYDGNFYGTPKPPAEPSPFQPDPVDQVLFDNEFDAESQRKRTTSVSKMERMDSSLPEEEEDEDKEAINGSGNAENRERHSESSDWMKTVPSYNQTNSSMDFRNYMMRDETLEPLPKNWEMAYTDTGMIYFIDHNTKTTTWLDPRLCKKAKAPEDCEDGELPYGWEKIEDPQYGTYYVDFTLVAQAGVQWHDLGSLQPPPPGFNHLNQKTQFENPVEEAKRKKQLGQVEIGSSKPDMEKSHFTRDPSQLKGVLVRASLKKSTMGFGFTIIGGDRPDEFLQVKNVLKDGPAAQDGKIAPGDVIVDINGNCVLGHTHADVVQMFQLVPVNQYVNLTLCRGYPLPDDSEDPVVDIVAATPVINGQSLTKGETCMNPQDFKPGAMVLEQNGKSGHTLTGDGLNGPSDASEQRVSMASSGSSQPELVTIPLIKGPKGFGFAIADSPTGQKVKMILDSQWCQGLQKGDIIKEIYHQNVQNLTHLQVVEVLKQFPVGADVPLLILRGGPPSPTKTAKMKTDKKENAGSLEAINEPIPQPMPFPPSIIRSGSPKLDPSEVYLKSKTLYEDKPPNTKDLDVFLRKQESGFGFRVLGGDGPDQSIYIGAIIPLGAAEKDGRLRAADELMCIDGIPVKGKSHKQVLDLMTTAARNGHVLLTVRRKIFYGEKQPEDDSSQAFISTQNGSPRLNRAEVPARPAPQEPYDVVLQRKENEGFGFVILTSKNKPPPGVIPHKIGRVIEGSPADRCGKLKVGDHISAVNGQSIVELSHDNIVQLIKDAGVTVTLTVIAEEEHHGPPSGTNSARQSPALQHRPMGQSQANHIPGDRSALEGEIGKDVSTSYRHSWSDHKHLAQPDTAVISVVGSRHNQNLGCYPVELERGPRGFGFSLRGGKEYNMGLFILRLAEDGPAIKDGRIHVGDQIVEINGEPTQGITHTRAIELIQAGGNKVLLLLRPGTGLIPDHGDWDINNPSSSNVIYDEQSPLPPSSHFASIFEESHVPVIEESLRVQICEKAEELKDIVPEKKSTLNENQPEIKHQSLLQKNVSKRDPPSSHGHSNKKNLLKVENGVTRRGRSVSPKKPASQHSEEHLDKIPSPLKNNPKRRPRDQSLSPSKGENKSCQVSTRAGSGQDQCRKSRGRSASPKKQQKIEGSKAPSNAEAKLLEGKSRRIAGYTGSNAEQIPDGKEKSDVIRKDAKQNQLEKSRTRSPEKKIKRMVEKSLPSKMTNKTTSKEVSENEKGKKVTTGETSSSNDKIGENVQLSEKRLKQEPEEKVVSNKTEDHKGKELEAADKNKETGRFKPESSSPVKKTLITPGPWKVPSGNKVTGTIGMAEKRQ
  
Inhibitor
Name:
BDBM50116986
Synonyms:
AcQITWV-OH | CHEMBL2369910
Type:
Small organic molecule
Emp. Form.:
C33H49N7O9
Mol. Mass.:
687.7837
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Structure:
Search PDB for entries with ligand similarity: