Reaction Details Report a problem with these data
Target
GTPase NRas [Q61R]
Ligand
BDBM591900
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
550±n/a nM
Citation
 Koltun, ES; Cregg, J; Gill, AL; Buckl, A; Liu, Y Ras inhibitors US Patent  US11566007 Publication Date 1/31/2023 
Target
Name:
GTPase NRas [Q61R]
Synonyms:
HRAS1 | NRAS | RASN_HUMAN
Type:
PROTEIN
Mol. Mass.:
21252.97
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
189
Sequence:
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGREEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKCDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMKKLNSSDDGTQGCMGLPCVVM
  
Inhibitor
Name:
BDBM591900
Synonyms:
US11566007, Example A580
Type:
Small organic molecule
Emp. Form.:
C51H67N9O8S
Mol. Mass.:
966.198
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CC[C@@H]2OCCN([C@@H]2C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,65.73,37.45,wD:13.18,53.57,48.53,(-7.96,-7.3,;-9.04,-6.21,;-8.65,-4.72,;-9.55,-3.48,;-8.65,-2.23,;-8.65,-.69,;-7.31,.08,;-5.77,.08,;-6.54,-1.25,;-7.17,1.91,;-5.83,2.68,;-5.83,4.22,;-7.17,4.99,;-4.5,4.99,;-4.5,6.53,;-3.17,7.3,;-1.83,6.53,;-1.83,4.99,;-3.17,4.22,;-.5,4.22,;.83,4.99,;-.5,2.68,;-1.83,1.91,;-1.83,.37,;-3.17,-.4,;-3.17,-1.94,;-1.83,-2.71,;-.5,-.4,;-4.51,-2.71,;-4.51,-4.25,;-5.85,-5.02,;-7.18,-4.25,;-7.18,-2.71,;-5.85,-1.94,;.83,1.91,;2.17,2.68,;2.17,4.22,;3.5,1.91,;3.5,.37,;2.17,-.4,;4.84,-.4,;4.84,2.68,;4.84,4.22,;6.17,1.91,;6.17,.37,;7.5,2.68,;7.5,4.22,;8.84,4.99,;10.17,4.22,;11.5,4.99,;12.84,4.22,;12.84,2.68,;11.5,1.91,;10.17,2.68,;8.84,1.91,;11.5,.37,;10.17,-.4,;12.84,-.4,;14.17,.37,;-11.09,-3.48,;-11.86,-4.81,;-13.4,-4.81,;-14.17,-3.48,;-13.4,-2.14,;-11.86,-2.14,;-11.09,-.81,;-9.55,-.81,;-11.86,.52,;-11.09,1.86,)|
Structure:
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