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Target
Ubiquitin carboxyl-terminal hydrolase 7
Ligand
BDBM50465200
Substrate
n/a
Meas. Tech.
ChEMBL_1784330 (CHEMBL4255847)
IC50
90±n/a nM
Citation
 O'Dowd, CR; Helm, MD; Rountree, JSS; Flasz, JT; Arkoudis, E; Miel, H; Hewitt, PR; Jordan, L; Barker, O; Hughes, C; Rozycka, E; Cassidy, E; McClelland, K; Odrzywol, E; Page, N; Feutren-Burton, S; Dvorkin, S; Gavory, G; Harrison, T Identification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors. ACS Med Chem Lett 9:238-243 (2018) [PubMed]  Article 
Target
Name:
Ubiquitin carboxyl-terminal hydrolase 7
Synonyms:
Deubiquitinating enzyme 7 | HAUSP | Herpesvirus-associated ubiquitin-specific protease | UBP7_HUMAN | USP7 | Ubiquitin thioesterase 7 | Ubiquitin-specific-processing protease 7
Type:
PROTEIN
Mol. Mass.:
128274.45
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1469483
Residue:
1102
Sequence:
MNHQQQQQQQKAGEQQLSEPEDMEMEAGDTDDPPRITQNPVINGNVALSDGHNTAEEDMEDDTSWRSEATFQFTVERFSRLSESVLSPPCFVRNLPWKIMVMPRFYPDRPHQKSVGFFLQCNAESDSTSWSCHAQAVLKIINYRDDEKSFSRRISHLFFHKENDWGFSNFMAWSEVTDPEKGFIDDDKVTFEVFVQADAPHGVAWDSKKHTGYVGLKNQGATCYMNSLLQTLFFTNQLRKAVYMMPTEGDDSSKSVPLALQRVFYELQHSDKPVGTKKLTKSFGWETLDSFMQHDVQELCRVLLDNVENKMKGTCVEGTIPKLFRGKMVSYIQCKEVDYRSDRREDYYDIQLSIKGKKNIFESFVDYVAVEQLDGDNKYDAGEHGLQEAEKGVKFLTLPPVLHLQLMRFMYDPQTDQNIKINDRFEFPEQLPLDEFLQKTDPKDPANYILHAVLVHSGDNHGGHYVVYLNPKGDGKWCKFDDDVVSRCTKEEAIEHNYGGHDDDLSVRHCTNAYMLVYIRESKLSEVLQAVTDHDIPQQLVERLQEEKRIEAQKRKERQEAHLYMQVQIVAEDQFCGHQGNDMYDEEKVKYTVFKVLKNSSLAEFVQSLSQTMGFPQDQIRLWPMQARSNGTKRPAMLDNEADGNKTMIELSDNENPWTIFLETVDPELAASGATLPKFDKDHDVMLFLKMYDPKTRSLNYCGHIYTPISCKIRDLLPVMCDRAGFIQDTSLILYEEVKPNLTERIQDYDVSLDKALDELMDGDIIVFQKDDPENDNSELPTAKEYFRDLYHRVDVIFCDKTIPNDPGFVVTLSNRMNYFQVAKTVAQRLNTDPMLLQFFKSQGYRDGPGNPLRHNYEGTLRDLLQFFKPRQPKKLYYQQLKMKITDFENRRSFKCIWLNSQFREEEITLYPDKHGCVRDLLEECKKAVELGEKASGKLRLLEIVSYKIIGVHQEDELLECLSPATSRTFRIEEIPLDQVDIDKENEMLVTVAHFHKEVFGTFGIPFLLRIHQGEHFREVMKRIQSLLDIQEKEFEKFKFAIVMMGRHQYINEDEYEVNLKDFEPQPGNMSHPRPWLGLDHFNKAPKRSRYTYLEKAIKIHN
  
Inhibitor
Name:
BDBM50465200
Synonyms:
CHEMBL4282783 | US10766903, Example 97
Type:
Small organic molecule
Emp. Form.:
C28H30FN5O3
Mol. Mass.:
503.5679
SMILES:
C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccccc4F)n(C)nc3c2=O)CC1)c1ccccc1 |r,wD:1.0,(18.13,-20.03,;18.13,-18.49,;16.8,-17.72,;15.46,-18.49,;15.46,-20.03,;14.13,-17.72,;12.8,-18.48,;11.47,-17.72,;11.47,-16.18,;11.46,-14.64,;10.14,-15.41,;8.8,-16.19,;8.81,-17.73,;7.47,-18.5,;6.13,-17.73,;4.66,-18.21,;3.89,-19.54,;2.35,-19.53,;1.58,-20.86,;2.34,-22.2,;3.89,-22.2,;4.66,-20.87,;6.2,-20.87,;3.75,-16.96,;2.21,-16.96,;4.66,-15.7,;6.13,-16.18,;7.47,-15.42,;7.46,-13.88,;12.8,-15.4,;14.13,-16.18,;19.47,-17.73,;20.8,-18.5,;22.13,-17.73,;22.13,-16.19,;20.79,-15.42,;19.46,-16.19,)|
Structure:
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