Reaction Details Report a problem with these data
Target
Leucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,G2019S]
Ligand
BDBM481875
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
4.40±n/a nM
Citation
 Gray, NS; Hatcher, J; Choi, HG LRRK2 inhibitors and methods of making and using the same US Patent  US10913744 Publication Date 2/9/2021 
Target
Name:
Leucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,G2019S]
Synonyms:
GST-LRRK2 (aa 1326-2527,G2019S) | LRRK2 | LRRK2_HUMAN | PARK8
Type:
n/a
Mol. Mass.:
136848.23
Organism:
Homo sapiens (Human)
Description:
Q5S007[1326-2527,G2019S]
Residue:
1202
Sequence:
LKKAVPYNRMKLMIVGNTGSGKTTLLQQLMKTKKSDLGMQSATVGIDVKDWPIQIRDKRKRDLVLNVWDFAGREEFYSTHPHFMTQRALYLAVYDLSKGQAEVDAMKPWLFNIKARASSSPVILVGTHLDVSDEKQRKACMSKITKELLNKRGFPAIRDYHFVNATEESDALAKLRKTIINESLNFKIRDQLVVGQLIPDCYVELEKIILSERKNVPIEFPVIDRKRLLQLVRENQLQLDENELPHAVHFLNESGVLLHFQDPALQLSDLYFVEPKWLCKIMAQILTVKVEGCPKHPKGIISRRDVEKFLSKKRKFPKNYMSQYFKLLEKFQIALPIGEEYLLVPSSLSDHRPVIELPHCENSEIIIRLYEMPYFPMGFWSRLINRLLEISPYMLSGRERALRPNRMYWRQGIYLNWSPEAYCLVGSEVLDNHPESFLKITVPSCRKGCILLGQVVDHIDSLMEEWFPGLLEIDICGEGETLLKKWALYSFNDGEEHQKILLDDLMKKAEEGDLLVNPDQPRLTIPISQIAPDLILADLPRNIMLNNDELEFEQAPEFLLGDGSFGSVYRAAYEGEEVAVKIFNKHTSLRLLRQELVVLCHLHHPSLISLLAAGIRPRMLVMELASKGSLDRLLQQDKASLTRTLQHRIALHVADGLRYLHSAMIIYRDLKPHNVLLFTLYPNAAIIAKIADYSIAQYCCRMGIKTSEGTPGFRAPEVARGNVIYNQQADVYSFGLLLYDILTTGGRIVEGLKFPNEFDELEIQGKLPDPVKEYGCAPWPMVEKLIKQCLKENPQERPTSAQVFDILNSAELVCLTRRILLPKNVIVECMVATHHNSRNASIWLGCGHTDRGQLSFLDLNTEGYTSEEVADSRILCLALVHLPVEKESWIVSGTQSGTLLVINTEDGKKRHTLEKMTDSVTCLYCNSFSKQSKQKNFLLVGTADGKLAIFEDKTVKLKGAAPLKILNIGNVSTPLMCLSESTNSTERNVMWGGCGTKIFSFSNDFTIQKLIETRTSQLFSYAAFSDSNIITVVVDTALYIAKQNSPVVEVWDKKTEKLCGLIDCVHFLREVMVKENKESKHKMSYSGRVKTLCLQKNTALWIGTGGGHILLLDLSTRRLIRVIYNFCNSVRVMMTAQLGSLKNVMLVLGYNRKNTEGTQKQKEIQSCLTVWDINLPHEVQNLEKHIEVRKELAEKMRRTSVE
  
Inhibitor
Name:
BDBM481875
Synonyms:
US10913744, Compound 14
Type:
Small organic molecule
Emp. Form.:
C23H28N6O4
Mol. Mass.:
452.5062
SMILES:
COc1cc(ccc1Nc1nc(NCC2CCCO2)c2cc[nH]c2n1)C(=O)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: