2.7.7.35: ADP ribose phosphorylase
This is an abbreviated version!
For detailed information about ADP ribose phosphorylase, go to the full flat file.
Reaction
Synonyms
adenosine diphosphoribose phosphorylase, adenylyltransferase, ribose 5-phosphate, ADP ribose phosphorylase
ECTree
2.7.7.35 ADP ribose phosphorylaseAdvanced search results
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results (Inhibitors
Inhibitors on EC 2.7.7.35 - ADP ribose phosphorylase
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INHIBITOR 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
IMAGE
(1S)-1-(1H-benzimidazol-2-yl)-N-[(1-benzofuran-3-yl)methyl]-2-methylpropan-1-amine
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i.e. ZINC096223736, inhibitor identified by virtual screening; i.e. ZINC121003678, inhibitor identified by virtual screening, displays high number of hydrophobic contacts
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(2S)-2-(1H-benzimidazol-2-yl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrrolidine-1-carboxamide
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i.e. ZINC426746041, inhibitor identified by virtual screening
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(5-amino-4-chloro-1H-pyrazol-3-yl)[(2S)-2-(5-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
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i.e. ZINC217844024, inhibitor identified by virtual screening, displays high amount of hydrogen bonding
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2-[[(1H-benzimidazol-2-yl)methyl]sulfanyl]quinazolin-4-ol
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i.e. ZINC082673, inhibitor identified by virtual screening, displays high number of hydrophobic contacts
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4-(3-methoxypropyl)-5-[[(2S)-1-(2-methyl-3H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
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i.e.ZINC014116837, inhibitor identified by virtual screening, displays high number of hydrophobic contacts
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N-[(1H-benzimidazol-2-yl)methyl]-3,6-dihydrocyclopenta[c]pyrazole-3-carboxamide
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i.e. ZINC096232566, inhibitor identified by virtual screening
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N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
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i.e. ZINC079784201, inhibitor identified by virtual screening
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D-ribose 5-phosphate
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competitive to phosphate with ADP, noncompetitive to phosphate with ADP-ribose
additional information
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no inhibition by CN-, 1,10-phenanthroline, 2,2'-dipyridyl, ribose 1-phosphate, ribose 1,5-diphosphate, glucose 1-phosphate, glucose 6-phosphate; no inhibition by NADP+, EDTA, ribose
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additional information
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no inhibition by adenosine, deoxyadenosine, 3'-AMP, CMP, CDP, UDP, NADH, NAD+, ADPglucose, UDPglucose, IAA, NEM; no inhibition by NADP+, EDTA, ribose
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additional information
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identification of inhibitors by large-scale molecular dynamics simulations. Eight compounds show stable binding modes in the simulations, as well as favorable drug properties. The inhibitors show hydrogen bonds to Leu126, Ala154, and Ile23
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