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Target
Ubiquitin carboxyl-terminal hydrolase 1
Ligand
BDBM324906
Substrate
n/a
Meas. Tech.
Ubitquin-Rhodamine 110 Assay for USP1 Activity
IC50
<0.002±n/a nM
Citation
 Buckmelter, AJ; Ioannidis, S; Follows, B; Gustafson, G; Wang, M; Caravella, JA; Wang, Z; Fritzen, EL; Lin, J Purinones as ubiquitin-specific protease 1 inhibitors US Patent  US10189841 Publication Date 1/29/2019 
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:
BDBM324906
Synonyms:
9-(((1r,4r)-4-(3,5- | US10189841, Compound I-112 | US10399980, Compound I-112
Type:
Small organic molecule
Emp. Form.:
C27H34N6O
Mol. Mass.:
458.5985
SMILES:
CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(C[C@H]3CC[C@@H](CC3)n3nc(C)cc3C)c2n1 |r,wU:22.26,wD:19.19,(-8.63,3.74,;-7.3,2.97,;-5.97,3.74,;-7.3,1.43,;-8.63,.66,;-8.63,-.88,;-7.3,-1.65,;-5.97,-.88,;-5.97,.66,;-4.63,1.43,;-4.63,2.97,;-3.3,3.74,;-1.97,2.97,;-.5,3.44,;-.1,4.93,;.4,2.2,;1.94,2.2,;-.5,.95,;-.1,-.54,;1.39,-.94,;1.78,-2.42,;3.27,-2.82,;4.36,-1.73,;3.96,-.25,;2.47,.15,;5.85,-2.13,;6.32,-3.6,;7.86,-3.6,;8.63,-4.93,;8.34,-2.13,;7.09,-1.23,;7.09,.31,;-1.97,1.43,;-3.3,.66,)|
Structure:
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