Reaction Details Report a problem with these data
Target
Ubiquitin carboxyl-terminal hydrolase 1
Ligand
BDBM497367
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:
BDBM497367
Synonyms:
US11739077, Example 25
Type:
Small organic molecule
Emp. Form.:
C26H27F3N8O
Mol. Mass.:
524.5408
SMILES:
CCn1cc(nc1-c1ccc(nc1)N1CCc2c(C1)c(nn2C)-c1c(OC)ncnc1C1CC1)C(F)(F)F |(3.58,-5.31,;3.26,-3.81,;4.4,-2.78,;5.91,-3.1,;6.72,-1.76,;5.65,-.62,;4.24,-1.25,;2.91,-.48,;1.58,-1.25,;.24,-.48,;.24,1.06,;1.58,1.83,;2.91,1.06,;-1.09,1.83,;-1.09,3.37,;-2.43,4.14,;-3.76,3.37,;-3.76,1.83,;-2.43,1.06,;-5.22,1.36,;-6.13,2.6,;-5.22,3.85,;-5.7,5.31,;-5.7,-.11,;-7.21,-.43,;-8.24,.72,;-9.74,.4,;-7.68,-1.89,;-6.65,-3.04,;-5.15,-2.72,;-4.67,-1.25,;-3.16,-.93,;-1.7,-1.41,;-2.02,.1,;8.25,-1.6,;9.78,-1.44,;8.41,-3.13,;8.09,-.07,)|
Structure:
Search PDB for entries with ligand similarity: