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Target
Son of sevenless homolog 1
Ligand
BDBM50459434
Substrate
n/a
Meas. Tech.
ChEMBL_1766506 (CHEMBL4201753)
Kd
9.0±n/a nM
Citation
 Hodges, TR; Abbott, JR; Little, AJ; Sarkar, D; Salovich, JM; Howes, JE; Akan, DT; Sai, J; Arnold, AL; Browning, C; Burns, MC; Sobolik, T; Sun, Q; Beesetty, Y; Coker, JA; Scharn, D; Stadtmueller, H; Rossanese, OW; Phan, J; Waterson, AG; McConnell, DB; Fesik, SW Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J Med Chem 61:8875-8894 (2018) [PubMed]  Article 
Target
Name:
Son of sevenless homolog 1
Synonyms:
SOS-1 | SOS1 | SOS1_HUMAN
Type:
PROTEIN
Mol. Mass.:
152470.33
Organism:
Homo sapiens (Human)
Description:
ChEMBL_839705
Residue:
1333
Sequence:
MQAQQLPYEFFSEENAPKWRGLLVPALKKVQGQVHPTLESNDDALQYVEELILQLLNMLCQAQPRSASDVEERVQKSFPHPIDKWAIADAQSAIEKRKRRNPLSLPVEKIHPLLKEVLGYKIDHQVSVYIVAVLEYISADILKLVGNYVRNIRHYEITKQDIKVAMCADKVLMDMFHQDVEDINILSLTDEEPSTSGEQTYYDLVKAFMAEIRQYIRELNLIIKVFREPFVSNSKLFSANDVENIFSRIVDIHELSVKLLGHIEDTVEMTDEGSPHPLVGSCFEDLAEELAFDPYESYARDILRPGFHDRFLSQLSKPGAALYLQSIGEGFKEAVQYVLPRLLLAPVYHCLHYFELLKQLEEKSEDQEDKECLKQAITALLNVQSGMEKICSKSLAKRRLSESACRFYSQQMKGKQLAIKKMNEIQKNIDGWEGKDIGQCCNEFIMEGTLTRVGAKHERHIFLFDGLMICCKSNHGQPRLPGASNAEYRLKEKFFMRKVQINDKDDTNEYKHAFEIILKDENSVIFSAKSAEEKNNWMAALISLQYRSTLERMLDVTMLQEEKEEQMRLPSADVYRFAEPDSEENIIFEENMQPKAGIPIIKAGTVIKLIERLTYHMYADPNFVRTFLTTYRSFCKPQELLSLIIERFEIPEPEPTEADRIAIENGDQPLSAELKRFRKEYIQPVQLRVLNVCRHWVEHHFYDFERDAYLLQRMEEFIGTVRGKAMKKWVESITKIIQRKKIARDNGPGHNITFQSSPPTVEWHISRPGHIETFDLLTLHPIEIARQLTLLESDLYRAVQPSELVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVETENLEERVAVVSRIIEILQVFQELNNFNGVLEVVSAMNSSPVYRLDHTFEQIPSRQKKILEEAHELSEDHYKKYLAKLRSINPPCVPFFGIYLTNILKTEEGNPEVLKRHGKELINFSKRRKVAEITGEIQQYQNQPYCLRVESDIKRFFENLNPMGNSMEKEFTDYLFNKSLEIEPRNPKPLPRFPKKYSYPLKSPGVRPSNPRPGTMRHPTPLQQEPRKISYSRIPESETESTASAPNSPRTPLTPPPASGASSTTDVCSVFDSDHSSPFHSSNDTVFIQVTLPHGPRSASVSSISLTKGTDEVPVPPPVPPRRRPESAPAESSPSKIMSKHLDSPPAIPPRQPTSKAYSPRYSISDRTSISDPPESPPLLPPREPVRTPDVFSSSPLHLQPPPLGKKSDHGNAFFPNSPSPFTPPPPQTPSPHGTRRHLPSPPLTQEVDLHSIAGPPVPPRQSTSQHIPKLPPKTYKREHTHPSMHRDGPPLLENAHSS
  
Inhibitor
Name:
BDBM50459434
Synonyms:
CHEMBL4214703
Type:
Small organic molecule
Emp. Form.:
C26H28ClFN6
Mol. Mass.:
478.992
SMILES:
Cc1n[nH]c(C)c1-c1cc(Cl)cc2n(Cc3cc(C)c(F)c(C)c3)c(nc12)N1CC2(CNC2)C1 |(41.71,-25.52,;40.24,-25.05,;39.76,-23.59,;38.22,-23.59,;37.75,-25.06,;36.29,-25.54,;39.01,-25.96,;39.02,-27.5,;37.69,-28.27,;37.69,-29.82,;36.35,-30.58,;39.02,-30.59,;40.35,-29.81,;41.82,-30.28,;42.29,-31.75,;41.26,-32.89,;41.74,-34.35,;40.71,-35.49,;41.19,-36.95,;39.2,-35.17,;38.17,-36.32,;38.72,-33.7,;37.22,-33.38,;39.76,-32.56,;42.73,-29.04,;41.82,-27.79,;40.35,-28.26,;44.27,-29.05,;45.35,-30.14,;46.44,-29.06,;47.53,-30.15,;48.62,-29.06,;47.53,-27.97,;45.36,-27.97,)|
Structure:
Search PDB for entries with ligand similarity: