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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03202266

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EEM[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-
[[(2S,3S,4R,5R)-5-(6-aminopurin-
9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-
methyl-selanium		A3E5F0.7
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate		A2FWQ0.73
HAMHISTIDYL-ADENOSINE MONOPHOSPHATEA,B,C,D1ADY0.71
HAMHISTIDYL-ADENOSINE MONOPHOSPHATEA,B,C,D1KMM0.71
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide		A,B3DZ40.7
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.71
GDV(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-
DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDINE-2-CARBOXAMIDE		A2J470.72
HIC4-METHYL-HISTIDINEA2Q970.72
HIC4-METHYL-HISTIDINEA1QZ60.72
HIC4-METHYL-HISTIDINEA3CHW0.72
HIC4-METHYL-HISTIDINEA,B2GWK0.72
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.72
HIC4-METHYL-HISTIDINEA2ASO0.72
HIC4-METHYL-HISTIDINEA,B2D1K0.72
HIC4-METHYL-HISTIDINEA,S1C0F0.72
HIC4-METHYL-HISTIDINEA,D1ATN0.72
HIC4-METHYL-HISTIDINEA,B2A420.72
HIC4-METHYL-HISTIDINEA,P2BTF0.72
HIC4-METHYL-HISTIDINEA,B1LOT0.72
HIC4-METHYL-HISTIDINEA1NWK0.72
HIC4-METHYL-HISTIDINEA,S1C0G0.72
HIC4-METHYL-HISTIDINEA,S1EQY0.72
HIC4-METHYL-HISTIDINEA2PAV0.72
HIC4-METHYL-HISTIDINEA2Q0U0.72
HIC4-METHYL-HISTIDINEA,B2HMP0.72
HIC4-METHYL-HISTIDINEA2PBD0.72
HIC4-METHYL-HISTIDINEA,S1DEJ0.72
HIC4-METHYL-HISTIDINEA,S1ESV0.72
HIC4-METHYL-HISTIDINEA1J6Z0.72
HIC4-METHYL-HISTIDINEA1WUA0.72
HIC4-METHYL-HISTIDINEA,B1YXQ0.72
HIC4-METHYL-HISTIDINEA1S220.72
HIC4-METHYL-HISTIDINEA,B,D,E2A400.72
HIC4-METHYL-HISTIDINEA1QZ50.72
HIC4-METHYL-HISTIDINEA2ZWH0.72
HIC4-METHYL-HISTIDINEA,B2A410.72
HIC4-METHYL-HISTIDINEB1MA90.72
HIC4-METHYL-HISTIDINEA,G3CI50.72
HIC4-METHYL-HISTIDINEA1Y640.72
HIC4-METHYL-HISTIDINEA,P1HLU0.72
HIC4-METHYL-HISTIDINEA,B2A3Z0.72
HIC4-METHYL-HISTIDINEA2FXU0.72
HIC4-METHYL-HISTIDINEA,G3CIP0.72
HIC4-METHYL-HISTIDINEA2GWJ0.72
HIC4-METHYL-HISTIDINEA,B2VCP0.72
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE		H,L2DDQ0.78
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.72
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.72
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.72
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.72
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.72
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.72
MVL(5R,6R,7S,8R)-6,7,8-trihydroxy-
5-(hydroxymethyl)-5,6,7,8-tetrahydro-
1H-imidazo[1,2-a]pyridin-4-ium		A3D4Y0.72
MVL(5R,6R,7S,8R)-6,7,8-trihydroxy-
5-(hydroxymethyl)-5,6,7,8-tetrahydro-
1H-imidazo[1,2-a]pyridin-4-ium		A,B2VMF0.72
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		T2P8Z0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		T2P8Y0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		A,B,C,D,E,F2ZIT0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		A,C,E1ZM30.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		A1U2R0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		A,B,C,D,E,F1ZM90.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		A,B,C,D,E,F3B780.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		A,B,C,D,E,F3B8H0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		T2P8X0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		A,B,C,D,E,F3B820.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		A,B,C,D,E,F1ZM40.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM		A,C,E1ZM20.74
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE		A,B2IU40.79
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID		A2EMN0.72
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID		A1EMF0.72
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID		A2EMD0.72
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID		A2EMO0.72
A3SSERINE-3'-AMINOADENOSINEA2HL00.71
A3SSERINE-3'-AMINOADENOSINEA,B2HL10.71
A3SSERINE-3'-AMINOADENOSINEA1TKY0.71
GI1METHOXYCARBONYL-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7D0.75
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2C4T0.72
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA1Z3C0.72
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2H2E0.72
HSS5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINEA,B,C,D2EL90.71
GIMGLUCOIMIDAZOLEA3D4Z0.72
GIMGLUCOIMIDAZOLEA,B2CEQ0.72
GIMGLUCOIMIDAZOLEA,B2CES0.72
M0N(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-
3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)		A2VF60.7
M0N(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-
3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)		A,B2E920.7
M0N(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-
3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)		A,B2EWG0.7
M0N(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-
3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID)		A3B7L0.7
GSZN-[(5R,6R,7R,8S)-6,7-DIHYDROXY-
5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE		A,B2J620.74
VGB(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-
2-(2-phenylethyl)-8-(propanoylamino)-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium		A,B2WB50.75
MH11-methyl-L-histidineA,B3G880.72
MH11-methyl-L-histidineA,B3G890.72
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.72
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID		A2JEW0.72
AYB5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosineA2ZIO0.7
GI3CARBOXYLATE-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7F0.77
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.73
GI4METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7G0.89
GI2METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7E0.9