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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01772831

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CH6{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A2H5Q0.71
CH6{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A1XQM0.71
CH6{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B2QLG0.71
CH6{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A1XA90.71
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
B,D2A540.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3E5V0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
B,D2A560.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
B,D2A530.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
B,D2A500.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,G,H3CFH0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,C,D3E5W0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,C,D,E,F,
G,H
3BXC0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,G,H3CFF0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3E5T0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,C,D,E,F,
G,H
3BXB0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
B,D2A520.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B2QLG0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B3BXA0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,C,D,E,F,
G,H
2V4E0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B2QLI0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B1UIS0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,C,D,E,F,
G,H
1ZGQ0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,G,H3CFA0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B2QLH0.72
NRQ{(4Z)-4-(4-hydroxybenzylidene)-
2-[3-(methylthio)propanimidoyl]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B3BX90.72
CQR[(4Z)-2-(AMINOMETHYL)-4-(4-HYDROXYBENZYLIDENE)-
5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-
YL]ACETIC ACID
A,B,C,D2G6Y0.72
CQR[(4Z)-2-(AMINOMETHYL)-4-(4-HYDROXYBENZYLIDENE)-
5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-
YL]ACETIC ACID
A,B,C,D2G6X0.72
AXL2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-
ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
B1LL90.71
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.71
AYG[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B2OTB0.7
AYG[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B2OTE0.7
AYG[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A2HQK0.7
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQJ0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQ30.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQL0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DPZ0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQO0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQ90.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQ40.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQF0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQ60.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQC0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQD0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A1F090.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DPW0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQ10.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQ50.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A1F0B0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQK0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A1MYW0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQN0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A2YFP0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQ80.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DPX0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQE0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQI0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQ70.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQU0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,C,D2DD90.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQ20.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQH0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQA0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A3DQM0.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B2DD70.72
CR2{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-
5-oxo-4,5-dihydro-1H-imidazol-1-
yl}acetic acid
A,B,C,D,E,F2G3O0.72
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
CCY2-(1-AMINO-2-MERCAPTO-ETHYL)-5-
(4-HYDROXY-BENZYL)-3-(ETHANOYL)-
3,5-DIHYDRO-IMIDAZOL-4-ONE
A1EMK0.71
GYS[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2GX20.7
GYS[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2DUI0.7
GYS[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2ZO60.7
GYS[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2ZO70.7
HC4A1TS60.74
HC4A3PHY0.74
HC4A3PYP0.74
HC4A1T1C0.74
HC4A1OT60.74
HC4A1TS00.74
HC4A1T1A0.74
HC4A2PYP0.74
HC4A2ZOI0.74
HC4A1OTI0.74
HC4A1XFQ0.74
HC4A2D010.74
HC4A,B,C,D,E,F,
G,H
2O7B0.74
HC4A2ZOH0.74
HC4A1GSW0.74
HC4A2QJ70.74
HC4A1F9I0.74
HC4X1UWP0.74
HC4A2PHY0.74
HC4A1T1B0.74
HC4A1F980.74
HC4A1T190.74
HC4X1UWN0.74
HC4A,B,C,D,E,F,
G,H
2O7F0.74
HC4A1UGU0.74
HC4A1TS80.74
HC4A,B1OTD0.74
HC4A1OTE0.74
HC4A1GSX0.74
HC4A1TS70.74
HC4A2PYR0.74
HC4A1S4S0.74
HC4A1GSV0.74
HC4A2I9V0.74
HC4A2QWS0.74
HC4A1XFN0.74
HC4A1S4R0.74
HC4A1T180.74
HC4A1OTA0.74
HC4A1D7E0.74
HC4A1S1Z0.74
HC4A,B,C1MZU0.74
HC4A,B1ODV0.74
HC4A,B2J3J0.74
HC4A2QJ50.74
HC4A1OTB0.74
HC4A2D020.74
HC4A1OT90.74
HC4A1NWZ0.74
HC4A1S1Y0.74
PIA{2-(1-AMINOETHYL)-4-[(4-HYDROXYPHENYL)METHYL]-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETALDEHYDE
A,B,C1H6R0.7
PIA{2-(1-AMINOETHYL)-4-[(4-HYDROXYPHENYL)METHYL]-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETALDEHYDE
A2JAD0.7
GYC[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D,E,F2IE20.71
GYC[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D2Z1O0.71
GYC[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D2IOV0.71
GYC[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D,E,F,
G,H
2Z6X0.71
GYC[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D2Z6Y0.71
GYC[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D2GX00.71
GYC[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D,E,F2Z6Z0.71
GYC[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D2POX0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
DYG(3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-imidazol-2-yl]propanoic acid
A,B2PXS0.71
DYG(3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-imidazol-2-yl]propanoic acid
A,B1XSS0.71
DYG(3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-imidazol-2-yl]propanoic acid
A,B2PXW0.71
F165-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-
ONE 1,1-DIOXIDE
A2CM80.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
MFM(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-
2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-
3-YL)PROPANOIC ACID
A,B1ZXV0.73
3XH3-Hydroxyhippuric acidA3E9K0.71
SD2N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDEA,B1PWQ0.72