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Target
Son of sevenless homolog 1
Ligand
BDBM50459448
Substrate
n/a
Meas. Tech.
ChEMBL_1766507 (CHEMBL4201754)
Kd
<100±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:
BDBM50459448
Synonyms:
CHEMBL4217599
Type:
Small organic molecule
Emp. Form.:
C25H28ClFN6
Mol. Mass.:
466.981
SMILES:
Cc1n[nH]c(C)c1-c1cc(Cl)cc2n(Cc3cc(C)c(F)c(C)c3)c(nc12)N1CCNCC1 |(8.7,-5.43,;7.24,-4.96,;6.76,-3.5,;5.22,-3.5,;4.74,-4.97,;3.28,-5.45,;6,-5.87,;6.01,-7.41,;4.68,-8.18,;4.68,-9.73,;3.34,-10.5,;6.01,-10.5,;7.34,-9.72,;8.81,-10.19,;9.29,-11.66,;8.25,-12.8,;8.73,-14.26,;7.7,-15.4,;8.18,-16.87,;6.19,-15.08,;5.16,-16.23,;5.72,-13.62,;4.21,-13.29,;6.75,-12.47,;9.72,-8.95,;8.81,-7.7,;7.34,-8.18,;11.26,-8.96,;12.02,-10.3,;13.55,-10.31,;14.33,-8.98,;13.57,-7.64,;12.02,-7.63,)|
Structure:
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