Reaction Details
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Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]
Ligand
BDBM593043
Substrate
n/a
Meas. Tech.
LRRK2 Enzymatic Assay
IC50
<50±n/a nM
Citation
Bearss, DJ; Kauwe, III, JS; Mollard, AH Inhibitors of LRRK2 kinase US Patent US11578061 Publication Date 2/14/2023 More Info.:
Target
Name:
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]
Synonyms:
LRRK2 | LRRK2_HUMAN | Leucine-rich repeat kinase 2 (LRRK2 t-WT) | Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) | PARK8
Type:
Protein
Mol. Mass.:
177317.56
Organism:
Homo sapiens (Human)
Description:
Human LRRK2 variant (970-2527aa)
Residue:
1558
Sequence:
HSDSISSLASEREYITSLDLSANELRDIDALSQKCCISVHLEHLEKLELHQNALTSFPQQLCETLKSLTHLDLHSNKFTSFPSYLLKMSCIANLDVSRNDIGPSVVLDPTVKCPTLKQFNLSYNQLSFVPENLTDVVEKLEQLILEGNKISGICSPLRLKELKILNLSKNHISSLSENFLEACPKVESFSARMNFLAAMPFLPPSMTILKLSQNKFSCIPEAILNLPHLRSLDMSSNDIQYLPGPAHWKSLNLRELLFSHNQISILDLSEKAYLWSRVEKLHLSHNKLKEIPPEIGCLENLTSLDVSYNLELRSFPNEMGKLSKIWDLPLDELHLNFDFKHIGCKAKDIIRFLQQRLKKAVPYNRMKLMIVGNTGSGKTTLLQQLMKTKKSDLGMQSATVGIDVKDWPIQIRDKRKRDLVLNVWDFAGREEFYSTHPHFMTQRALYLAVYDLSKGQAEVDAMKPWLFNIKARASSSPVILVGTHLDVSDEKQRKACMSKITKELLNKRGFPAIRDYHFVNATEESDALAKLRKTIINESLNFKIRDQLVVGQLIPDCYVELEKIILSERKNVPIEFPVIDRKRLLQLVRENQLQLDENELPHAVHFLNESGVLLHFQDPALQLSDLYFVEPKWLCKIMAQILTVKVEGCPKHPKGIISRRDVEKFLSKKRKFPKNYMSQYFKLLEKFQIALPIGEEYLLVPSSLSDHRPVIELPHCENSEIIIRLYEMPYFPMGFWSRLINRLLEISPYMLSGRERALRPNRMYWRQGIYLNWSPEAYCLVGSEVLDNHPESFLKITVPSCRKGCILLGQVVDHIDSLMEEWFPGLLEIDICGEGETLLKKWALYSFNDGEEHQKILLDDLMKKAEEGDLLVNPDQPRLTIPISQIAPDLILADLPRNIMLNNDELEFEQAPEFLLGDGSFGSVYRAAYEGEEVAVKIFNKHTSLRLLRQELVVLCHLHHPSLISLLAAGIRPRMLVMELASKGSLDRLLQQDKASLTRTLQHRIALHVADGLRYLHSAMIIYRDLKPHNVLLFTLYPNAAIIAKIADYGIAQYCCRMGIKTSEGTPGFRAPEVARGNVIYNQQADVYSFGLLLYDILTTGGRIVEGLKFPNEFDELEIQGKLPDPVKEYGCAPWPMVEKLIKQCLKENPQERPTSAQVFDILNSAELVCLTRRILLPKNVIVECMVATHHNSRNASIWLGCGHTDRGQLSFLDLNTEGYTSEEVADSRILCLALVHLPVEKESWIVSGTQSGTLLVINTEDGKKRHTLEKMTDSVTCLYCNSFSKQSKQKNFLLVGTADGKLAIFEDKTVKLKGAAPLKILNIGNVSTPLMCLSESTNSTERNVMWGGCGTKIFSFSNDFTIQKLIETRTSQLFSYAAFSDSNIITVVVDTALYIAKQNSPVVEVWDKKTEKLCGLIDCVHFLREVMVKENKESKHKMSYSGRVKTLCLQKNTALWIGTGGGHILLLDLSTRRLIRVIYNFCNSVRVMMTAQLGSLKNVMLVLGYNRKNTEGTQKQKEIQSCLTVWDINLPHEVQNLEKHIEVRKELAEKMRRTSVE
Inhibitor
Name:
BDBM593043
Synonyms:
3-(4-((5-chloro-4-((4- fluoropiperidin-4- yl)methoxy)pyrimidin-2- yl)amino)-3-methyl-1H-pyrazol-1- yl)cyclobutane-1-carbonitrile | US11578061, Example 21
Type:
Small organic molecule
Emp. Form.:
C19H23ClFN7O
Mol. Mass.:
419.884
SMILES:
Cc1nn(cc1Nc1ncc(Cl)c(OCC2(F)CCNCC2)n1)C1CC(C1)C#N |(-.43,2.82,;-1.57,1.79,;-3.08,2.11,;-3.85,.78,;-2.82,-.37,;-1.41,.26,;-.08,-.51,;1.26,.26,;1.26,1.8,;2.59,2.57,;3.92,1.8,;5.26,2.57,;3.92,.26,;5.26,-.51,;6.59,.26,;7.92,-.51,;7.92,1.03,;7.92,-2.05,;9.26,-2.82,;10.59,-2.05,;10.59,-.51,;9.26,.26,;2.59,-.51,;-5.38,.62,;-6.61,1.55,;-7.56,.32,;-6.31,-.61,;-9.09,.11,;-10.61,-.09,)|
Structure:
