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Target
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]
Ligand
BDBM593106
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 
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:
BDBM593106
Synonyms:
N-((1R,4R)-4-(((2-((1-(2- cyanopropan-2-yl)-3-methyl-1H- pyrazol-4-yl)amino)-5- fluoropyrimidin-4- yl)oxy)methyl)cyclohexyl) acetamide | US11578061, Example 84
Type:
Small organic molecule
Emp. Form.:
C21H28FN7O2
Mol. Mass.:
429.4911
SMILES:
CC(=O)N[C@H]1CC[C@H](COc2nc(Nc3cn(nc3C)C(C)(C)C#N)ncc2F)CC1 |r,wU:7.7,wD:4.3,(3.24,11.49,;3.24,9.95,;4.57,9.18,;1.9,9.18,;1.9,7.64,;.57,6.87,;.57,5.33,;1.9,4.56,;1.9,3.02,;.57,2.25,;.57,.71,;-.76,-.06,;-.76,-1.6,;-2.1,-2.37,;-2.1,-3.91,;-3.34,-4.82,;-2.87,-6.28,;-1.33,-6.28,;-.85,-4.82,;.61,-4.34,;-3.77,-7.53,;-5.02,-6.62,;-2.53,-8.43,;-4.68,-8.77,;-5.58,-10.02,;.57,-2.37,;1.9,-1.6,;1.9,-.06,;3.24,.71,;3.24,5.33,;3.24,6.87,)|
Structure:
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