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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03450629

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.78
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.78
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.77
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.77
IOTA,B1MBZ0.73
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.75
GI4METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7G0.71
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.77
HIPND1-PHOSPHONOHISTIDINEA1NSP0.77
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.77
HIPND1-PHOSPHONOHISTIDINEA1PFH0.77
HIPND1-PHOSPHONOHISTIDINEA1JEM0.77
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
A3E5F0.72
PURPURINE RIBOSIDEA1FKW0.75
PURPURINE RIBOSIDEA1UIP0.75
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.79
GSUO5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINEA2RE80.71
GSUO5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINEA,B,C,D2CV20.71
HAMHISTIDYL-ADENOSINE MONOPHOSPHATEA,B,C,D1ADY0.83
HAMHISTIDYL-ADENOSINE MONOPHOSPHATEA,B,C,D1KMM0.83
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.74
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.74
NEPN1-PHOSPHONOHISTIDINEA1E580.74
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.74
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.74
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.74
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.74
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.74
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.74
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.74
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.74
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.74
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.74
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.74
NEPN1-PHOSPHONOHISTIDINEA1QWO0.74
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.74
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.74
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.74
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B2AVN0.72
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA1XTP0.72
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B1IM80.72
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.77
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.77
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.77
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.77
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.8
MH11-methyl-L-histidineA,B3G880.76
MH11-methyl-L-histidineA,B3G890.76
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.76
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.71
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.75
P5A'5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINEA1NJ50.7
P5A'5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINEA,B2J3L0.7
HIC4-METHYL-HISTIDINEA2Q970.76
HIC4-METHYL-HISTIDINEA1QZ60.76
HIC4-METHYL-HISTIDINEA3CHW0.76
HIC4-METHYL-HISTIDINEA,B2GWK0.76
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.76
HIC4-METHYL-HISTIDINEA2ASO0.76
HIC4-METHYL-HISTIDINEA,B2D1K0.76
HIC4-METHYL-HISTIDINEA,S1C0F0.76
HIC4-METHYL-HISTIDINEA,D1ATN0.76
HIC4-METHYL-HISTIDINEA,B2A420.76
HIC4-METHYL-HISTIDINEA,P2BTF0.76
HIC4-METHYL-HISTIDINEA,B1LOT0.76
HIC4-METHYL-HISTIDINEA1NWK0.76
HIC4-METHYL-HISTIDINEA,S1C0G0.76
HIC4-METHYL-HISTIDINEA,S1EQY0.76
HIC4-METHYL-HISTIDINEA2PAV0.76
HIC4-METHYL-HISTIDINEA2Q0U0.76
HIC4-METHYL-HISTIDINEA,B2HMP0.76
HIC4-METHYL-HISTIDINEA2PBD0.76
HIC4-METHYL-HISTIDINEA,S1DEJ0.76
HIC4-METHYL-HISTIDINEA,S1ESV0.76
HIC4-METHYL-HISTIDINEA1J6Z0.76
HIC4-METHYL-HISTIDINEA1WUA0.76
HIC4-METHYL-HISTIDINEA,B1YXQ0.76
HIC4-METHYL-HISTIDINEA1S220.76
HIC4-METHYL-HISTIDINEA,B,D,E2A400.76
HIC4-METHYL-HISTIDINEA1QZ50.76
HIC4-METHYL-HISTIDINEA2ZWH0.76
HIC4-METHYL-HISTIDINEA,B2A410.76
HIC4-METHYL-HISTIDINEB1MA90.76
HIC4-METHYL-HISTIDINEA,G3CI50.76
HIC4-METHYL-HISTIDINEA1Y640.76
HIC4-METHYL-HISTIDINEA,P1HLU0.76
HIC4-METHYL-HISTIDINEA,B2A3Z0.76
HIC4-METHYL-HISTIDINEA2FXU0.76
HIC4-METHYL-HISTIDINEA,G3CIP0.76
HIC4-METHYL-HISTIDINEA2GWJ0.76
HIC4-METHYL-HISTIDINEA,B2VCP0.76
PSH1-thiophosphono-L-histidineA2R7C0.74
HIAL-HISTIDINE AMIDEB1URL0.71
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.77
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.82
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.78
SFGADENOSYL-ORNITHINEA2YXL0.7
SFGADENOSYL-ORNITHINEA2ZBR0.7
SFGADENOSYL-ORNITHINEA,B,D,E1YFL0.7
SFGADENOSYL-ORNITHINEA2HV90.7
SFGADENOSYL-ORNITHINEA,B,C2H2J0.7
SFGADENOSYL-ORNITHINEA3ELD0.7
SFGADENOSYL-ORNITHINEA3EMD0.7
SFGADENOSYL-ORNITHINEA3HA50.7
SFGADENOSYL-ORNITHINEA,B3EPP0.7
SFGADENOSYL-ORNITHINEA,B3G2Q0.7
SFGADENOSYL-ORNITHINEA1NW60.7
SFGADENOSYL-ORNITHINEA,B1AQJ0.7
SFGADENOSYL-ORNITHINEA,B2YX10.7
SFGADENOSYL-ORNITHINEA1QAQ0.7
SFGADENOSYL-ORNITHINEA3CBP0.7
SFGADENOSYL-ORNITHINEA1XDU0.7
SFGADENOSYL-ORNITHINEA,B3BBH0.7
SFGADENOSYL-ORNITHINEA3CJR0.7
RIGARGADINA,B1W9U0.74
RIGARGADINA1WAW0.74
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2C4T0.73
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA1Z3C0.73
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2H2E0.73
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.75
DHID-HISTIDINEP1MCB0.81
DHID-HISTIDINEA2EZ70.81
DHID-HISTIDINEP1MCN0.81
DHID-HISTIDINEA,D1CZQ0.81
DHID-HISTIDINEI1ER80.81
DHID-HISTIDINEP1MCL0.81
DHID-HISTIDINEA,B,C,D3BOG0.81
DHID-HISTIDINEA,L1ZEA0.81
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.76
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.76
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.76
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.76
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.76
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.76
HSS5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINEA,B,C,D2EL90.82