Reaction Details Report a problem with these data
Target
Ubiquitin carboxyl-terminal hydrolase 1
Ligand
BDBM497359
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
525±n/a nM
Citation
 Wu, J; Qin, L; Liu, J Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof US Patent  US11739077 Publication Date 8/29/2023 
Target
Name:
Ubiquitin carboxyl-terminal hydrolase 1
Synonyms:
Deubiquitinating enzyme 1 | UBP1_HUMAN | USP1 | Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48  | Ubiquitin thioesterase 1 | Ubiquitin-specific-processing protease 1 | hUBP
Type:
PROTEIN
Mol. Mass.:
88191.62
Organism:
Homo sapiens (Human)
Description:
ChEMBL_104169
Residue:
785
Sequence:
MPGVIPSESNGLSRGSPSKKNRLSLKFFQKKETKRALDFTDSQENEEKASEYRASEIDQVVPAAQSSPINCEKRENLLPFVGLNNLGNTCYLNSILQVLYFCPGFKSGVKHLFNIISRKKEALKDEANQKDKGNCKEDSLASYELICSLQSLIISVEQLQASFLLNPEKYTDELATQPRRLLNTLRELNPMYEGYLQHDAQEVLQCILGNIQETCQLLKKEEVKNVAELPTKVEEIPHPKEEMNGINSIEMDSMRHSEDFKEKLPKGNGKRKSDTEFGNMKKKVKLSKEHQSLEENQRQTRSKRKATSDTLESPPKIIPKYISENESPRPSQKKSRVKINWLKSATKQPSILSKFCSLGKITTNQGVKGQSKENECDPEEDLGKCESDNTTNGCGLESPGNTVTPVNVNEVKPINKGEEQIGFELVEKLFQGQLVLRTRCLECESLTERREDFQDISVPVQEDELSKVEESSEISPEPKTEMKTLRWAISQFASVERIVGEDKYFCENCHHYTEAERSLLFDKMPEVITIHLKCFAASGLEFDCYGGGLSKINTPLLTPLKLSLEEWSTKPTNDSYGLFAVVMHSGITISSGHYTASVKVTDLNSLELDKGNFVVDQMCEIGKPEPLNEEEARGVVENYNDEEVSIRVGGNTQPSKVLNKKNVEAIGLLGGQKSKADYELYNKASNPDKVASTAFAENRNSETSDTTGTHESDRNKESSDQTGINISGFENKISYVVQSLKEYEGKWLLFDDSEVKVTEEKDFLNSLSPSTSPTSTPYLLFYKKL
  
Inhibitor
Name:
BDBM497359
Synonyms:
US11739077, Example 13
Type:
Small organic molecule
Emp. Form.:
C25H25F3N8
Mol. Mass.:
494.5148
SMILES:
Cc1ncnc(C2CC2)c1-c1nn(C)c2CCN(Cc12)c1ccc(cn1)-c1nc(cn1C)C(F)(F)F |(-8.99,-.04,;-7.96,-1.18,;-8.44,-2.64,;-7.4,-3.79,;-5.9,-3.47,;-5.42,-2,;-3.92,-1.68,;-2.45,-2.16,;-2.77,-.65,;-6.45,-.86,;-5.98,.6,;-6.88,1.85,;-5.98,3.1,;-6.45,4.56,;-4.51,2.62,;-3.18,3.39,;-1.85,2.62,;-1.85,1.08,;-3.18,.31,;-4.51,1.08,;-.51,.31,;-.51,-1.23,;.82,-2,;2.16,-1.23,;2.16,.31,;.82,1.08,;3.49,-2,;4.9,-1.37,;5.97,-2.51,;5.16,-3.85,;3.65,-3.53,;2.51,-4.56,;7.5,-2.35,;9.03,-2.19,;7.66,-3.88,;7.34,-.82,)|
Structure:
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