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Target
Ubiquitin-like modifier-activating enzyme 1
Ligand
BDBM50616172
Substrate
n/a
Meas. Tech.
ChEMBL_2307519
Kd
630±n/a nM
Citation
 Zhou, L; Jeong, IH; Xue, S; Xue, M; Wang, L; Li, S; Liu, R; Jeong, GH; Wang, X; Cai, J; Yin, J; Huang, B Inhibition of the Ubiquitin Transfer Cascade by a Peptidomimetic Foldamer Mimicking the E2 N-Terminal Helix. J Med Chem 66:491-502 (2023) [PubMed] 
Target
Name:
Ubiquitin-like modifier-activating enzyme 1
Synonyms:
UBA1_HUMAN | UBA1 | A1S9T | UBE1
Type:
PROTEIN
Mol. Mass.:
117834.03
Organism:
Human
Description:
ChEMBL_827630
Residue:
1058
Sequence:
MSSSPLSKKRRVSGPDPKPGSNCSPAQSVLSEVPSVPTNGMAKNGSEADIDEGLYSRQLYVLGHEAMKRLQTSSVLVSGLRGLGVEIAKNIILGGVKAVTLHDQGTAQWADLSSQFYLREEDIGKNRAEVSQPRLAELNSYVPVTAYTGPLVEDFLSGFQVVVLTNTPLEDQLRVGEFCHNRGIKLVVADTRGLFGQLFCDFGEEMILTDSNGEQPLSAMVSMVTKDNPGVVTCLDEARHGFESGDFVSFSEVQGMVELNGNQPMEIKVLGPYTFSICDTSNFSDYIRGGIVSQVKVPKKISFKSLVASLAEPDFVVTDFAKFSRPAQLHIGFQALHQFCAQHGRPPRPRNEEDAAELVALAQAVNARALPAVQQNNLDEDLIRKLAYVAAGDLAPINAFIGGLAAQEVMKACSGKFMPIMQWLYFDALECLPEDKEVLTEDKCLQRQNRYDGQVAVFGSDLQEKLGKQKYFLVGAGAIGCELLKNFAMIGLGCGEGGEIIVTDMDTIEKSNLNRQFLFRPWDVTKLKSDTAAAAVRQMNPHIRVTSHQNRVGPDTERIYDDDFFQNLDGVANALDNVDARMYMDRRCVYYRKPLLESGTLGTKGNVQVVIPFLTESYSSSQDPPEKSIPICTLKNFPNAIEHTLQWARDEFEGLFKQPAENVNQYLTDPKFVERTLRLAGTQPLEVLEAVQRSLVLQRPQTWADCVTWACHHWHTQYSNNIRQLLHNFPPDQLTSSGAPFWSGPKRCPHPLTFDVNNPLHLDYVMAAANLFAQTYGLTGSQDRAAVATFLQSVQVPEFTPKSGVKIHVSDQELQSANASVDDSRLEELKATLPSPDKLPGFKMYPIDFEKDDDSNFHMDFIVAASNLRAENYDIPSADRHKSKLIAGKIIPAIATTTAAVVGLVCLELYKVVQGHRQLDSYKNGFLNLALPFFGFSEPLAAPRHQYYNQEWTLWDRFEVQGLQPNGEEMTLKQFLDYFKTEHKLEITMLSQGVSMLYSFFMPAAKLKERLDQPMTEIVSRVSKRKLGRHVRALVLELCCNDESGEDVEVPYVRYTIR
  
Inhibitor
Name:
BDBM50616172
Synonyms:
CHEMBL5440318
Type:
Small organic molecule
Emp. Form.:
C114H186N28O31S9
Mol. Mass.:
2733.51
SMILES:
COc1ccc(cc1)S(=O)(=O)N(C[C@@H](CCCCN)NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Cc2cc(O)ccc12)CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@@H]1CCCCNC(=O)c2ccc(cc2)C(=O)NCCCC[C@H](CN(CC(=O)N[C@H](CCCCN)CN(CC(=O)N[C@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CCN)S(C)(=O)=O)S(C)(=O)=O)NC(=O)CN(C[C@@H](CCCCN)NC(=O)CN(C1)S(C)(=O)=O)S(C)(=C)=O)S(=O)(=O)CCN)S(C)(=O)=O |r|
Structure:
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