Reaction Details 
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RAF proto-oncogene serine/threonine-protein kinase
Ligand
BDBM50339617
Substrate
n/a
Meas. Tech.
ChEMBL_734963 (CHEMBL1693570)
IC50
110±n/a nM
Citation
Gould, AE; Adams, R; Adhikari, S; Aertgeerts, K; Afroze, R; Blackburn, C; Calderwood, EF; Chau, R; Chouitar, J; Duffey, MO; England, DB; Farrer, C; Forsyth, N; Garcia, K; Gaulin, J; Greenspan, PD; Guo, R; Harrison, SJ; Huang, SC; Iartchouk, N; Janowick, D; Kim, MS; Kulkarni, B; Langston, SP; Liu, JX; Ma, LT; Menon, S; Mizutani, H; Paske, E; Renou, CC; Rezaei, M; Rowland, RS; Sintchak, MD; Smith, MD; Stroud, SG; Tregay, M; Tian, Y; Veiby, OP; Vos, TJ; Vyskocil, S; Williams, J; Xu, T; Yang, JJ; Yano, J; Zeng, H; Zhang, DM; Zhang, Q; Galvin, KM Design and optimization of potent and orally bioavailable tetrahydronaphthalene Raf inhibitors. J Med Chem 54:1836-46 (2011) [PubMed] ArticleMore Info.:
Target
Name:
RAF proto-oncogene serine/threonine-protein kinase
Synonyms:
C-Raf Protein Kinase | Proto-oncogene c-RAF (RAF1) | RAF | RAF proto-oncogene
serine/threonine-protein kinase (C-Raf) | RAF1 | RAF1_HUMAN | Raf-1 | Serine/threonine-protein kinase
RAF | Serine/threonine-protein kinase C-Raf | cRaf
Type:
Serine/threonine-protein kinase
Mol. Mass.:
73082.52
Organism:
Homo sapiens (Human)
Description:
P04049
Residue:
648
Sequence:
MEHIQGAWKTISNGFGFKDAVFDGSSCISPTIVQQFGYQRRASDDGKLTDPSKTSNTIRVFLPNKQRTVVNVRNGMSLHDCLMKALKVRGLQPECCAVFRLLHEHKGKKARLDWNTDAASLIGEELQVDFLDHVPLTTHNFARKTFLKLAFCDICQKFLLNGFRCQTCGYKFHEHCSTKVPTMCVDWSNIRQLLLFPNSTIGDSGVPALPSLTMRRMRESVSRMPVSSQHRYSTPHAFTFNTSSPSSEGSLSQRQRSTSTPNVHMVSTTLPVDSRMIEDAIRSHSESASPSALSSSPNNLSPTGWSQPKTPVPAQRERAPVSGTQEKNKIRPRGQRDSSYYWEIEASEVMLSTRIGSGSFGTVYKGKWHGDVAVKILKVVDPTPEQFQAFRNEVAVLRKTRHVNILLFMGYMTKDNLAIVTQWCEGSSLYKHLHVQETKFQMFQLIDIARQTAQGMDYLHAKNIIHRDMKSNNIFLHEGLTVKIGDFGLATVKSRWSGSQQVEQPTGSVLWMAPEVIRMQDNNPFSFQSDVYSYGIVLYELMTGELPYSHINNRDQIIFMVGRGYASPDLSKLYKNCPKAMKRLVADCVKKVKEERPLFPQILSSIELLQHSLPKINRSASEPSLHRAAHTEDINACTLTTSPRLPVF
Inhibitor
Name:
BDBM50339617
Synonyms:
(2S)-N-[3-[(Isopropylamino)methyl]-5-(trifluoromethyl)-phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide | CHEMBL1688873
Type:
Small organic molecule
Emp. Form.:
C30H31F3N4O3
Mol. Mass.:
552.5873
SMILES:
CC(C)NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C2)cc(c1)C(F)(F)F |r|
Structure:
