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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03204541

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
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.8
HIC4-METHYL-HISTIDINEA2Q970.86
HIC4-METHYL-HISTIDINEA1QZ60.86
HIC4-METHYL-HISTIDINEA3CHW0.86
HIC4-METHYL-HISTIDINEA,B2GWK0.86
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.86
HIC4-METHYL-HISTIDINEA2ASO0.86
HIC4-METHYL-HISTIDINEA,B2D1K0.86
HIC4-METHYL-HISTIDINEA,S1C0F0.86
HIC4-METHYL-HISTIDINEA,D1ATN0.86
HIC4-METHYL-HISTIDINEA,B2A420.86
HIC4-METHYL-HISTIDINEA,P2BTF0.86
HIC4-METHYL-HISTIDINEA,B1LOT0.86
HIC4-METHYL-HISTIDINEA1NWK0.86
HIC4-METHYL-HISTIDINEA,S1C0G0.86
HIC4-METHYL-HISTIDINEA,S1EQY0.86
HIC4-METHYL-HISTIDINEA2PAV0.86
HIC4-METHYL-HISTIDINEA2Q0U0.86
HIC4-METHYL-HISTIDINEA,B2HMP0.86
HIC4-METHYL-HISTIDINEA2PBD0.86
HIC4-METHYL-HISTIDINEA,S1DEJ0.86
HIC4-METHYL-HISTIDINEA,S1ESV0.86
HIC4-METHYL-HISTIDINEA1J6Z0.86
HIC4-METHYL-HISTIDINEA1WUA0.86
HIC4-METHYL-HISTIDINEA,B1YXQ0.86
HIC4-METHYL-HISTIDINEA1S220.86
HIC4-METHYL-HISTIDINEA,B,D,E2A400.86
HIC4-METHYL-HISTIDINEA1QZ50.86
HIC4-METHYL-HISTIDINEA2ZWH0.86
HIC4-METHYL-HISTIDINEA,B2A410.86
HIC4-METHYL-HISTIDINEB1MA90.86
HIC4-METHYL-HISTIDINEA,G3CI50.86
HIC4-METHYL-HISTIDINEA1Y640.86
HIC4-METHYL-HISTIDINEA,P1HLU0.86
HIC4-METHYL-HISTIDINEA,B2A3Z0.86
HIC4-METHYL-HISTIDINEA2FXU0.86
HIC4-METHYL-HISTIDINEA,G3CIP0.86
HIC4-METHYL-HISTIDINEA2GWJ0.86
HIC4-METHYL-HISTIDINEA,B2VCP0.86
HSOHISTIDINOLA,B1H3J0.8
HSOHISTIDINOLA,B,C,D1KMN0.8
HSOHISTIDINOLA,B2FPU0.8
HSOHISTIDINOLA,B1KAE0.8
HSOHISTIDINOLN2BKD0.8
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.79
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.77
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.86
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.86
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.84
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.84
DHID-HISTIDINEP1MCB0.91
DHID-HISTIDINEA2EZ70.91
DHID-HISTIDINEP1MCN0.91
DHID-HISTIDINEA,D1CZQ0.91
DHID-HISTIDINEI1ER80.91
DHID-HISTIDINEP1MCL0.91
DHID-HISTIDINEA,B,C,D3BOG0.91
DHID-HISTIDINEA,L1ZEA0.91
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.89
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.89
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.72
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.86
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.86
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.86
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.86
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.86
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.86
GIRGIRODAZOLE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTL0.7
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.87
HIPND1-PHOSPHONOHISTIDINEA1NSP0.87
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.87
HIPND1-PHOSPHONOHISTIDINEA1PFH0.87
HIPND1-PHOSPHONOHISTIDINEA1JEM0.87
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.73
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.77
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.77
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.77
PSH1-thiophosphono-L-histidineA2R7C0.84
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.7
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.76
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.76
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.76
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.76
RIGARGADINA,B1W9U0.74
RIGARGADINA1WAW0.74
WY2(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-
B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-
3,6-DICARBOXYLIC ACID
A1Q2P0.72
WY2(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-
B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-
3,6-DICARBOXYLIC ACID
A1Q2Q0.72
HIAL-HISTIDINE AMIDEB1URL0.8
MH11-methyl-L-histidineA,B3G880.86
MH11-methyl-L-histidineA,B3G890.86
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.86
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.72
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.83
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.83
NEPN1-PHOSPHONOHISTIDINEA1E580.83
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.83
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.83
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.83
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.83
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.83
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.83
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.83
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.83
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.83
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.83
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.83
NEPN1-PHOSPHONOHISTIDINEA1QWO0.83
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.83
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.83
HSMHISTAMINEA,B1U180.72
HSMHISTAMINEA1AVN0.72
HSMHISTAMINEA,B1KAR0.72
HSMHISTAMINEA,B1NP10.72
HSMHISTAMINEA,B1JQD0.72
HSMHISTAMINEA,B2QEB0.72
HSMHISTAMINEA,B1QFV0.72
HSMHISTAMINEA1IKE0.72
HSMHISTAMINEA3BU10.72
HSMHISTAMINEA,B1QFT0.72