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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00483546

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.88
HSOHISTIDINOLA,B1H3J0.8
HSOHISTIDINOLA,B,C,D1KMN0.8
HSOHISTIDINOLA,B2FPU0.8
HSOHISTIDINOLA,B1KAE0.8
HSOHISTIDINOLN2BKD0.8
RIGARGADINA,B1W9U0.76
RIGARGADINA1WAW0.76
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.78
HIC4-METHYL-HISTIDINEA2Q971
HIC4-METHYL-HISTIDINEA1QZ61
HIC4-METHYL-HISTIDINEA3CHW1
HIC4-METHYL-HISTIDINEA,B2GWK1
HIC4-METHYL-HISTIDINEA,B,D,E1MDU1
HIC4-METHYL-HISTIDINEA2ASO1
HIC4-METHYL-HISTIDINEA,B2D1K1
HIC4-METHYL-HISTIDINEA,S1C0F1
HIC4-METHYL-HISTIDINEA,D1ATN1
HIC4-METHYL-HISTIDINEA,B2A421
HIC4-METHYL-HISTIDINEA,P2BTF1
HIC4-METHYL-HISTIDINEA,B1LOT1
HIC4-METHYL-HISTIDINEA1NWK1
HIC4-METHYL-HISTIDINEA,S1C0G1
HIC4-METHYL-HISTIDINEA,S1EQY1
HIC4-METHYL-HISTIDINEA2PAV1
HIC4-METHYL-HISTIDINEA2Q0U1
HIC4-METHYL-HISTIDINEA,B2HMP1
HIC4-METHYL-HISTIDINEA2PBD1
HIC4-METHYL-HISTIDINEA,S1DEJ1
HIC4-METHYL-HISTIDINEA,S1ESV1
HIC4-METHYL-HISTIDINEA1J6Z1
HIC4-METHYL-HISTIDINEA1WUA1
HIC4-METHYL-HISTIDINEA,B1YXQ1
HIC4-METHYL-HISTIDINEA1S221
HIC4-METHYL-HISTIDINEA,B,D,E2A401
HIC4-METHYL-HISTIDINEA1QZ51
HIC4-METHYL-HISTIDINEA2ZWH1
HIC4-METHYL-HISTIDINEA,B2A411
HIC4-METHYL-HISTIDINEB1MA91
HIC4-METHYL-HISTIDINEA,G3CI51
HIC4-METHYL-HISTIDINEA1Y641
HIC4-METHYL-HISTIDINEA,P1HLU1
HIC4-METHYL-HISTIDINEA,B2A3Z1
HIC4-METHYL-HISTIDINEA2FXU1
HIC4-METHYL-HISTIDINEA,G3CIP1
HIC4-METHYL-HISTIDINEA2GWJ1
HIC4-METHYL-HISTIDINEA,B2VCP1
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.89
HIPND1-PHOSPHONOHISTIDINEA1NSP0.89
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.89
HIPND1-PHOSPHONOHISTIDINEA1PFH0.89
HIPND1-PHOSPHONOHISTIDINEA1JEM0.89
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.71
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO1
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO1
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y1
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM1
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN1
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU1
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
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.92
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.92
NEPN1-PHOSPHONOHISTIDINEA1E580.92
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.92
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.92
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.92
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.92
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.92
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.92
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.92
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.92
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.92
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.92
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.92
NEPN1-PHOSPHONOHISTIDINEA1QWO0.92
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.92
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.92
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.89
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.89
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.77
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.79
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.74
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.78
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.78
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.78
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.89
HIAL-HISTIDINE AMIDEB1URL0.81
DHID-HISTIDINEP1MCB0.94
DHID-HISTIDINEA2EZ70.94
DHID-HISTIDINEP1MCN0.94
DHID-HISTIDINEA,D1CZQ0.94
DHID-HISTIDINEI1ER80.94
DHID-HISTIDINEP1MCL0.94
DHID-HISTIDINEA,B,C,D3BOG0.94
DHID-HISTIDINEA,L1ZEA0.94
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.76
MH11-methyl-L-histidineA,B3G881
MH11-methyl-L-histidineA,B3G891
MH11-methyl-L-histidineA,B,C,D,E,F3G8A1
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.91
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.9
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.9
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.85
PSH1-thiophosphono-L-histidineA2R7C0.91
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.79
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.79
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.79
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.79