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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03430129

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.82
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.79
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.79
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.79
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.86
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.86
NEPN1-PHOSPHONOHISTIDINEA1E580.86
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.86
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.86
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.86
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.86
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.86
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.86
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.86
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.86
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.86
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.86
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.86
NEPN1-PHOSPHONOHISTIDINEA1QWO0.86
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.86
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.86
DHID-HISTIDINEP1MCB0.92
DHID-HISTIDINEA2EZ70.92
DHID-HISTIDINEP1MCN0.92
DHID-HISTIDINEA,D1CZQ0.92
DHID-HISTIDINEI1ER80.92
DHID-HISTIDINEP1MCL0.92
DHID-HISTIDINEA,B,C,D3BOG0.92
DHID-HISTIDINEA,L1ZEA0.92
HSOHISTIDINOLA,B1H3J0.8
HSOHISTIDINOLA,B,C,D1KMN0.8
HSOHISTIDINOLA,B2FPU0.8
HSOHISTIDINOLA,B1KAE0.8
HSOHISTIDINOLN2BKD0.8
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.84
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.78
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.89
HIPND1-PHOSPHONOHISTIDINEA1NSP0.89
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.89
HIPND1-PHOSPHONOHISTIDINEA1PFH0.89
HIPND1-PHOSPHONOHISTIDINEA1JEM0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.96
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.96
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.86
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.86
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.86
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.86
RIGARGADINA,B1W9U0.82
RIGARGADINA1WAW0.82
GI2METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7E0.75
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.89
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.89
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.84
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.83
MH11-methyl-L-histidineA,B3G880.88
MH11-methyl-L-histidineA,B3G890.88
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.88
PSH1-thiophosphono-L-histidineA2R7C0.85
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.72
HSS5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINEA,B,C,D2EL90.71
HIC4-METHYL-HISTIDINEA2Q970.88
HIC4-METHYL-HISTIDINEA1QZ60.88
HIC4-METHYL-HISTIDINEA3CHW0.88
HIC4-METHYL-HISTIDINEA,B2GWK0.88
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.88
HIC4-METHYL-HISTIDINEA2ASO0.88
HIC4-METHYL-HISTIDINEA,B2D1K0.88
HIC4-METHYL-HISTIDINEA,S1C0F0.88
HIC4-METHYL-HISTIDINEA,D1ATN0.88
HIC4-METHYL-HISTIDINEA,B2A420.88
HIC4-METHYL-HISTIDINEA,P2BTF0.88
HIC4-METHYL-HISTIDINEA,B1LOT0.88
HIC4-METHYL-HISTIDINEA1NWK0.88
HIC4-METHYL-HISTIDINEA,S1C0G0.88
HIC4-METHYL-HISTIDINEA,S1EQY0.88
HIC4-METHYL-HISTIDINEA2PAV0.88
HIC4-METHYL-HISTIDINEA2Q0U0.88
HIC4-METHYL-HISTIDINEA,B2HMP0.88
HIC4-METHYL-HISTIDINEA2PBD0.88
HIC4-METHYL-HISTIDINEA,S1DEJ0.88
HIC4-METHYL-HISTIDINEA,S1ESV0.88
HIC4-METHYL-HISTIDINEA1J6Z0.88
HIC4-METHYL-HISTIDINEA1WUA0.88
HIC4-METHYL-HISTIDINEA,B1YXQ0.88
HIC4-METHYL-HISTIDINEA1S220.88
HIC4-METHYL-HISTIDINEA,B,D,E2A400.88
HIC4-METHYL-HISTIDINEA1QZ50.88
HIC4-METHYL-HISTIDINEA2ZWH0.88
HIC4-METHYL-HISTIDINEA,B2A410.88
HIC4-METHYL-HISTIDINEB1MA90.88
HIC4-METHYL-HISTIDINEA,G3CI50.88
HIC4-METHYL-HISTIDINEA1Y640.88
HIC4-METHYL-HISTIDINEA,P1HLU0.88
HIC4-METHYL-HISTIDINEA,B2A3Z0.88
HIC4-METHYL-HISTIDINEA2FXU0.88
HIC4-METHYL-HISTIDINEA,G3CIP0.88
HIC4-METHYL-HISTIDINEA2GWJ0.88
HIC4-METHYL-HISTIDINEA,B2VCP0.88
HIAL-HISTIDINE AMIDEB1URL0.81
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D2VVI0.72
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D1ZUX0.72
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2DDD0.72
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2DDC0.72
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D2VVH0.72
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2GW30.72
HAMHISTIDYL-ADENOSINE MONOPHOSPHATEA,B,C,D1ADY0.72
HAMHISTIDYL-ADENOSINE MONOPHOSPHATEA,B,C,D1KMM0.72
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.86
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.92
GI4METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7G0.74
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.78
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.9
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.9
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.88
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.88
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.88
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.88
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.88
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.88
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.72