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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03294872

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
CR7[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2A470.7
CR7[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2A480.7
CR7[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2A460.7
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
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.71
XYG[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B2PXW0.72
XYG[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D2FL10.72
XYG[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B2PXS0.72
XYG[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B,C,D2ICR0.72
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.71
CH7[(4Z)-4-(4-HYDROXYBENZYLIDENE)-
5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-
2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-
YL]ACETIC ACID
A,B1XAE0.72
CH7[(4Z)-4-(4-HYDROXYBENZYLIDENE)-
5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-
2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-
YL]ACETIC ACID
A,B,C,D2OGR0.72
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
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
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
AYG[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B2OTB0.71
AYG[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B2OTE0.71
AYG[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A2HQK0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.72
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.71
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.74
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
PHX4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-
4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID
H,J2UUD0.78
PHX4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-
4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID
H2CJU0.78
PIA{2-(1-AMINOETHYL)-4-[(4-HYDROXYPHENYL)METHYL]-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETALDEHYDE
A,B,C1H6R0.71
PIA{2-(1-AMINOETHYL)-4-[(4-HYDROXYPHENYL)METHYL]-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETALDEHYDE
A2JAD0.71
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.71