Ki Summary

Reaction Details

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Target

Integrase

Ligand

BDBM50559796

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2070418 (CHEMBL4725952)

17±n/a nM

Citation

Patel, M; Naidu, BN; Dicker, I; Higley, H; Lin, Z; Terry, B; Protack, T; Krystal, M; Jenkins, S; Parker, D; Panja, C; Rampulla, R; Mathur, A; Meanwell, NA; Walker, MA Design, synthesis and SAR study of bridged tricyclic pyrimidinone carboxamides as HIV-1 integrase inhibitors. Bioorg Med Chem28:0 (2020) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Integrase

Name:

Integrase

Synonyms:

Integrase | int

Type:

PROTEIN

Mol. Mass.:

32028.36

Organism:

Human immunodeficiency virus 1

Description:

ChEMBL_118431

Residue:

286

Sequence:

FLDGIDKAQEDHEKYHSNWRAMASDFNMPPIAKEIVASCDKCQQKGEAIHGQVDCSPGIW
QLDCTHLEGKIILVAVHVASGYIEAEVIPAETGQETAYFILKLAGRWPVKRIHTDNGSNF
TSAAVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVF
IHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKLQNFRVYFRDSRDPLWKGPAKL
LWKGEGAVVIQDKSDIKVVPRRKAKIIRYGKQMAGDDCVASRQDED

BDBM50559796

n/a

Name

BDBM50559796

Synonyms:

CHEMBL4779601

Type

Small organic molecule

Emp. Form.

C23H26FN5O5

Mol. Mass.

471.4814

SMILES

CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O |(8.88,-35.92,;8.94,-37.46,;7.64,-38.28,;10.3,-38.18,;10.37,-39.71,;11.61,-37.35,;11.54,-35.81,;12.97,-38.07,;14.27,-37.24,;15.33,-38.38,;16.87,-38.26,;17.75,-36.98,;16.12,-37.47,;15.67,-36.2,;17.28,-35.51,;15.84,-34.94,;14.5,-35.71,;13.18,-34.95,;13.18,-33.41,;11.84,-32.65,;11.83,-31.11,;10.51,-33.42,;9.17,-32.65,;7.84,-33.43,;6.51,-32.66,;5.18,-33.43,;5.18,-34.97,;3.85,-35.75,;6.52,-35.74,;7.85,-34.96,;14.5,-32.64,;14.5,-31.1,;15.83,-33.41,;17.17,-32.65,)|

Structure