Structure of PDB 6v9f Chain B Binding Site BS01

Receptor Information
>6v9f Chain B (length=469) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQMRLPSADVYRFAEPDSEENIIFEEGIPIIKAGTVIKLIERLTYHMYAD
PNFVRTFLTTYRSFCKPQELLSLIIERFEIPEPEPTEADRIAIENGDQPL
SAELKRFRKEYIQPVQLRVLNVCRHWVEHHFYDFERDAYLLQRMEEFIGT
VRGKAMKKWVESITKIIQRKKIANITFQSSPPTVEWHISRPGHIETFDLL
TLHPIEIARQLTLLESDLYRAVQPSELVGSVWTKEDKEINSPNLLKMIRH
TTNLTLWFEKCIVETENLEERVAVVSRIIEILQVFQELNNFNGVLEVVSA
MNSSPVYRLDHTFEQIPSRQKKILEEAHELSEDHYKKYLAKLRSINPPCV
PFFGIYLTNILKTEEGNPEVLKRHGKELINFSKRRKVAEITGEIQQYQNQ
PYCLRVESDIKRFFENLNPMGNSMEKEFTDYLFNKSLEIEPRNPKPLPRF
PKKYSYPLKSPGVRPSNPR
Ligand information
Ligand IDQTS
InChIInChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChIKeyHKBJSDNECZUKSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N
ACDLabs 12.01n3c1c(cccc1)n(Cc2ccc(cc2)Cl)c3N
CACTVS 3.385Nc1nc2ccccc2n1Cc3ccc(Cl)cc3
FormulaC14 H12 Cl N3
Name1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
ChEMBLCHEMBL1314048
DrugBank
ZINCZINC000000184014
PDB chain6v9f Chain B Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6v9f Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
Resolution1.849 Å
Binding residue
(original residue number in PDB)		V852 M878 N879 V883 Y884 T889 F890 H905
Binding residue
(residue number reindexed from 1)		V275 M301 N302 V306 Y307 T312 F313 H328
Annotation score1
Binding affinityBindingDB: Kd=350000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity
Biological Process
GO:0007264 small GTPase-mediated signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:6v9f, PDBe:6v9f, PDBj:6v9f
PDBsum6v9f
PubMed32673492
UniProtQ07889|SOS1_HUMAN Son of sevenless homolog 1 (Gene Name=SOS1)

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