Reaction Details Report a problem with these data
Target
Ubiquitin carboxyl-terminal hydrolase 1
Ligand
BDBM497326
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
<50±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:
BDBM497326
Synonyms:
US11739077, Example 17 | US11739077, Example 3
Type:
Small organic molecule
Emp. Form.:
C26H26F3N7O
Mol. Mass.:
509.5261
SMILES:
COc1ncnc(C2CC2)c1-c1nn(C)c2CCN(Cc12)c1ccc(cc1)-c1nc(cn1C)C(F)(F)F |(-9.74,-.36,;-8.24,-.04,;-7.21,-1.18,;-7.68,-2.64,;-6.65,-3.79,;-5.15,-3.47,;-4.67,-2,;-3.16,-1.68,;-1.7,-2.16,;-2.02,-.65,;-5.7,-.86,;-5.22,.6,;-6.13,1.85,;-5.22,3.1,;-5.7,4.56,;-3.76,2.62,;-2.43,3.39,;-1.09,2.62,;-1.09,1.08,;-2.43,.31,;-3.76,1.08,;.24,.31,;.24,-1.23,;1.58,-2,;2.91,-1.23,;2.91,.31,;1.58,1.08,;4.24,-2,;5.65,-1.37,;6.72,-2.51,;5.91,-3.85,;4.4,-3.53,;3.26,-4.56,;8.25,-2.35,;9.78,-2.19,;8.41,-3.88,;8.09,-.82,)|
Structure:
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