Reaction Details |
| Report a problem with these data |
Target | Protein-arginine deiminase type-4 |
---|
Ligand | BDBM646238 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | In Vitro PAD4 BAEE Biochemical Assay |
---|
IC50 | 53.2±n/a nM |
---|
Citation | Byun, DH; Cai, ZR; Canales, EY; Debien, LP; Hansen, TR; Huang, R; Jansa, P; Lee, RA; Loyer-Drew, JA; McFadden, R; Mitchell, ML; Pyun, H; Saito, RD; Sangi, MS; Schrier, AJ; Shatskikh, ME; Taylor, JG; Van Veldhuizen, JJ; Xu, L Inhibitors of peptidylarginine deiminases US Patent US11878965 Publication Date 1/23/2024 |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Protein-arginine deiminase type-4 |
---|
Name: | Protein-arginine deiminase type-4 |
Synonyms: | PAD4 | PADI4 | PADI4_HUMAN | PADI5 | PDI5 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 74078.90 |
Organism: | Homo sapiens (Human) |
Description: | gi_216548487 |
Residue: | 663 |
Sequence: | MAQGTLIRVTPEQPTHAVCVLGTLTQLDICSSAPEDCTSFSINASPGVVVDIAHGPPAKK
KSTGSSTWPLDPGVEVTLTMKVASGSTGDQKVQISYYGPKTPPVKALLYLTGVEISLCAD
ITRTGKVKPTRAVKDQRTWTWGPCGQGAILLVNCDRDNLESSAMDCEDDEVLDSEDLQDM
SLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQATRGKLSSKCSVVLGPKWPSHYLMV
PGGKHNMDFYVEALAFPDTDFPGLITLTISLLDTSNLELPEAVVFQDSVVFRVAPWIMTP
NTQPPQEVYACSIFENEDFLKSVTTLAMKAKCKLTICPEEENMDDQWMQDEMEIGYIQAP
HKTLPVVFDSPRNRGLKEFPIKRVMGPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRG
KEYPLGRILFGDSCYPSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLSFVP
APDRKGFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIKNILSNKTLREHNS
FVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFSKAEAFFPNMVNMLVLGKHLGIPK
PFGPVINGRCCLEEKVCSLLEPLGLQCTFINDFFTYHIRHGEVHCGTNVRRKPFSFKWWN
MVP
|
|
|
BDBM646238 |
---|
n/a |
---|
Name | BDBM646238 |
Synonyms: | (S)-N-((R)-1-(2-(5-((1S,4R,5R)-4- amino-2-azabicyclo[3.2.1]octane-2- carbonyl)-1-cyclopropyl-7-fluoro- 1H-benzo[d]imidazol-2-yl)-1- (cyclopropylmethyl)-1H-pyrrolo[2,3- b]pyridin-6-yl)ethyl)-2,2- difluorocyclopropane-1-carboxamide | US11878965, Example 226 |
Type | Small organic molecule |
Emp. Form. | C35H38F3N7O2 |
Mol. Mass. | 645.7171 |
SMILES | C[C@@H](NC(=O)[C@@H]1CC1(F)F)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r| |
Structure |
|