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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03663128

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GIRGIRODAZOLE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTL0.71
RIGARGADINA,B1W9U0.81
RIGARGADINA1WAW0.81
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.85
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.85
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.85
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.85
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.93
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.93
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.93
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.93
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.93
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.93
DHID-HISTIDINEP1MCB0.96
DHID-HISTIDINEA2EZ70.96
DHID-HISTIDINEP1MCN0.96
DHID-HISTIDINEA,D1CZQ0.96
DHID-HISTIDINEI1ER80.96
DHID-HISTIDINEP1MCL0.96
DHID-HISTIDINEA,B,C,D3BOG0.96
DHID-HISTIDINEA,L1ZEA0.96
HSOHISTIDINOLA,B1H3J0.83
HSOHISTIDINOLA,B,C,D1KMN0.83
HSOHISTIDINOLA,B2FPU0.83
HSOHISTIDINOLA,B1KAE0.83
HSOHISTIDINOLN2BKD0.83
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.78
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.91
HIPND1-PHOSPHONOHISTIDINEA1NSP0.91
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.91
HIPND1-PHOSPHONOHISTIDINEA1PFH0.91
HIPND1-PHOSPHONOHISTIDINEA1JEM0.91
PSH1-thiophosphono-L-histidineA2R7C0.87
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.88
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.92
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.92
HIC4-METHYL-HISTIDINEA2Q970.93
HIC4-METHYL-HISTIDINEA1QZ60.93
HIC4-METHYL-HISTIDINEA3CHW0.93
HIC4-METHYL-HISTIDINEA,B2GWK0.93
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.93
HIC4-METHYL-HISTIDINEA2ASO0.93
HIC4-METHYL-HISTIDINEA,B2D1K0.93
HIC4-METHYL-HISTIDINEA,S1C0F0.93
HIC4-METHYL-HISTIDINEA,D1ATN0.93
HIC4-METHYL-HISTIDINEA,B2A420.93
HIC4-METHYL-HISTIDINEA,P2BTF0.93
HIC4-METHYL-HISTIDINEA,B1LOT0.93
HIC4-METHYL-HISTIDINEA1NWK0.93
HIC4-METHYL-HISTIDINEA,S1C0G0.93
HIC4-METHYL-HISTIDINEA,S1EQY0.93
HIC4-METHYL-HISTIDINEA2PAV0.93
HIC4-METHYL-HISTIDINEA2Q0U0.93
HIC4-METHYL-HISTIDINEA,B2HMP0.93
HIC4-METHYL-HISTIDINEA2PBD0.93
HIC4-METHYL-HISTIDINEA,S1DEJ0.93
HIC4-METHYL-HISTIDINEA,S1ESV0.93
HIC4-METHYL-HISTIDINEA1J6Z0.93
HIC4-METHYL-HISTIDINEA1WUA0.93
HIC4-METHYL-HISTIDINEA,B1YXQ0.93
HIC4-METHYL-HISTIDINEA1S220.93
HIC4-METHYL-HISTIDINEA,B,D,E2A400.93
HIC4-METHYL-HISTIDINEA1QZ50.93
HIC4-METHYL-HISTIDINEA2ZWH0.93
HIC4-METHYL-HISTIDINEA,B2A410.93
HIC4-METHYL-HISTIDINEB1MA90.93
HIC4-METHYL-HISTIDINEA,G3CI50.93
HIC4-METHYL-HISTIDINEA1Y640.93
HIC4-METHYL-HISTIDINEA,P1HLU0.93
HIC4-METHYL-HISTIDINEA,B2A3Z0.93
HIC4-METHYL-HISTIDINEA2FXU0.93
HIC4-METHYL-HISTIDINEA,G3CIP0.93
HIC4-METHYL-HISTIDINEA2GWJ0.93
HIC4-METHYL-HISTIDINEA,B2VCP0.93
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.84
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.92
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.92
GI2METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7E0.73
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.79
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.8
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.8
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.8
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.84
MH11-methyl-L-histidineA,B3G880.93
MH11-methyl-L-histidineA,B3G890.93
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.93
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.87
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.87
NEPN1-PHOSPHONOHISTIDINEA1E580.87
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.87
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.87
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.87
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.87
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.87
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.87
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.87
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.87
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.87
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.87
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.87
NEPN1-PHOSPHONOHISTIDINEA1QWO0.87
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.87
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.87
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.86
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.91
HSMHISTAMINEA,B1U180.73
HSMHISTAMINEA1AVN0.73
HSMHISTAMINEA,B1KAR0.73
HSMHISTAMINEA,B1NP10.73
HSMHISTAMINEA,B1JQD0.73
HSMHISTAMINEA,B2QEB0.73
HSMHISTAMINEA,B1QFV0.73
HSMHISTAMINEA1IKE0.73
HSMHISTAMINEA3BU10.73
HSMHISTAMINEA,B1QFT0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.94
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.94
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.74
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.74
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.81
HIAL-HISTIDINE AMIDEB1URL0.83
GI4METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7G0.73