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Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Found 48 hits affinity hit(s) for enzyme = Papain with UniProtKB: P00784
Target (A)Ligand (B)A
in PDB
B
in PDB
AB
in PDB
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
pHTemp
°C
Explore
Papain

Carica papaya
dipeptidyl aldehyde, 52
JPEG
(tert-butyl N-[(1S)-1-[(2-oxoethyl)carbamoyl]-2-phe...)
190015.00-44.65n/an/an/a6.525 more..
Papain

Carica papaya
phenylalanine derivative, 44
JPEG
((2S)-N-(cyanomethyl)-3-phenyl-2-[(4-phenylphenyl)f...)
190016.00-44.49n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 35
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(4...)
190016.00-44.49n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 34
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(n...)
190021.00-43.82n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 28
JPEG
(tert-butyl N-[(1S)-2-(4-bromophenyl)-1-[(cyanometh...)
190029.00-43.02n/an/an/a6.525 more..
Papain

Carica papaya
phenylalanine derivative, 43
JPEG
((2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)p...)
190062.00-41.13n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 19
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(t...)
1900190.0-38.36n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 23
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(4...)
1900190.0-38.36n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 16
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-ph...)
1900260.0-37.58n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 24
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(4...)
1900270.0-37.49n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 29
JPEG
(tert-butyl N-[(1S)-2-(3-bromophenyl)-1-[(cyanometh...)
1900330.0-36.99n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 17
JPEG
(benzyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenyl...)
1900360.0-36.77n/an/an/a6.525 more..
Papain

Carica papaya
phenylalanine derivative, 42
JPEG
((2S)-N-(cyanomethyl)-2-acetamido-3-phenylpropanami...)
1900380.0-36.64n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 26
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
1900400.0-36.51n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 30
JPEG
(tert-butyl N-[(1S)-2-(2-bromophenyl)-1-[(cyanometh...)
1900460.0-36.17n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 25
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(3...)
1900500.0-35.96n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 20
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(t...)
1900570.0-35.64n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 12
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-(m...)
1900650.0-35.31n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 6
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]butyl...)
1900750.0-34.95n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 18
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(f...)
19001200-33.79n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 39
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(3...)
19001200-33.79n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 13
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]penty...)
19001570-33.12n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 7
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-me...)
19002000-32.52n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 5
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-me...)
19002000-32.52n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 11
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-cy...)
19002200-32.29n/an/an/a6.525 more..
Papain

Carica papaya
dipeptidyl nitrile, 1
JPEG
(Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...)
19003100-31.44n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 4
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]propy...)
19005400-30.06n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 32
JPEG
(tert-butyl N-[(1S)-2-(1-benzothiophen-3-yl)-1-[(cy...)
19007400-29.28n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 31
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(1...)
19007600-29.21n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 38
JPEG
(N-(cyanomethyl)-2-(naphthalene-2-sulfonamido)aceta...)
190010000-28.53n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 22
JPEG
(tert-butyl N-[(1S)-2-(benzyloxy)-1-[(cyanomethyl)c...)
190011000-28.30n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 21
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-ph...)
190012000-28.08n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 10
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-cy...)
190013000-27.88n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 27
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
190014000-27.70n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 3
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]ethyl...)
190022000-26.58n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 9
JPEG
(tert-butyl N-[(1S,2R)-1-[(cyanomethyl)carbamoyl]-2...)
190026000-26.17n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 33
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(n...)
190028000-25.98n/an/an/a6.525 more..
Papain

Carica papaya
phenylalanine derivative, 36
JPEG
(tert-butyl N-[(1R)-1-[(cyanomethyl)carbamoyl]-2-ph...)
190041000-25.04n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 15
JPEG
(tert-butyl N-[(S)-[(cyanomethyl)carbamoyl](phenyl)...)
190083000-23.29n/an/an/a6.525 more..
Papain

Carica papaya
phenylalanine derivative, 37
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)(methyl)carbamo...)
1900>100000>-22.83n/an/an/a6.525 more..
Papain

Carica papaya
methyl ketone, 53
JPEG
(tert-butyl N-[(1S)-1-[(2-oxopropyl)carbamoyl]-2-ph...)
1900187000-21.27n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 40
JPEG
(tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)
1900299000-20.11n/an/an/a6.525 more..
Papain

Carica papaya
phenylalanine derived propargyl, 54
JPEG
(tert-butyl N-[(1S)-2-phenyl-1-(prop-2-yn-1-ylcarba...)
1900497000-18.85n/an/an/a6.525 more..
Papain

Carica papaya
phenylalanine derived allylamide, 55
JPEG
(tert-butyl N-[(1S)-2-phenyl-1-(prop-2-en-1-ylcarba...)
1900497000-18.85n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 14
JPEG
(tert-butyl (2S)-2-[(cyanomethyl)carbamoyl]pyrrolid...)
1900537000-18.66n/an/an/a6.525 more..
Papain

Carica papaya
phenylalanine derivative, 48
JPEG
(2-({N-benzyl-N'-[(tert-butoxy)carbonyl]hydrazineca...)
1900725000-17.92n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 2
JPEG
(benzyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate)
19001599000-15.96n/an/an/a6.525 more..
Papain

Carica papaya
dipeptide-derived nitrile, 1
JPEG
(tert-butyl N-{[(cyanomethyl)carbamoyl]methyl}carba...)
1900>3000000>-14.40n/an/an/a6.525 more..
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