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Target
Integrase
Ligand
BDBM50482161
Substrate
n/a
Meas. Tech.
ChEMBL_633208 (CHEMBL1118864)
IC50
4.0±n/a nM
Citation
 Suzuki, S; Urano, E; Hashimoto, C; Tsutsumi, H; Nakahara, T; Tanaka, T; Nakanishi, Y; Maddali, K; Han, Y; Hamatake, M; Miyauchi, K; Pommier, Y; Beutler, JA; Sugiura, W; Fuji, H; Hoshino, T; Itotani, K; Nomura, W; Narumi, T; Yamamoto, N; Komano, JA; Tamamura, H Peptide HIV-1 integrase inhibitors from HIV-1 gene products. J Med Chem 53:5356-60 (2010) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50482161
Synonyms:
CHEMBL1082256
Type:
Small organic molecule
Emp. Form.:
C122H212N52O23
Mol. Mass.:
2775.3233
SMILES:
[H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Structure:
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