Reaction Details
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Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]
Ligand
BDBM593059
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:
BDBM593059
Synonyms:
2-(4-((5-methoxy-4-(((1R,4R)-4- (methylamino)cyclohexyl)methoxy) pyrimidin-2-yl)amino)-3- methyl-1H-pyrazol-1-yl)-2- methylpropanenitrile | US11578061, Example 37
Type:
Small organic molecule
Emp. Form.:
C21H31N7O2
Mol. Mass.:
413.5165
SMILES:
CN[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2OC)CC1 |r,wU:5.5,wD:2.1,(3.41,10.81,;2.08,10.04,;2.08,8.5,;.75,7.73,;.75,6.19,;2.08,5.42,;2.08,3.88,;.75,3.11,;.75,1.57,;-.59,.8,;-.59,-.74,;-1.92,-1.51,;-1.92,-3.05,;-3.17,-3.95,;-2.69,-5.42,;-1.15,-5.42,;-.68,-3.95,;.79,-3.48,;-3.6,-6.66,;-4.84,-5.76,;-2.35,-7.57,;-4.5,-7.91,;-5.41,-9.16,;.75,-1.51,;2.08,-.74,;2.08,.8,;3.41,1.57,;4.75,.8,;3.41,6.19,;3.41,7.73,)|
Structure:
