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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03289598

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PF22-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-
1-yl)carbonyl]pyrrolidin-3-yl}piperazin-
1-yl)pyrimidine
A,B3F8S0.71
HIC4-METHYL-HISTIDINEA2Q970.78
HIC4-METHYL-HISTIDINEA1QZ60.78
HIC4-METHYL-HISTIDINEA3CHW0.78
HIC4-METHYL-HISTIDINEA,B2GWK0.78
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.78
HIC4-METHYL-HISTIDINEA2ASO0.78
HIC4-METHYL-HISTIDINEA,B2D1K0.78
HIC4-METHYL-HISTIDINEA,S1C0F0.78
HIC4-METHYL-HISTIDINEA,D1ATN0.78
HIC4-METHYL-HISTIDINEA,B2A420.78
HIC4-METHYL-HISTIDINEA,P2BTF0.78
HIC4-METHYL-HISTIDINEA,B1LOT0.78
HIC4-METHYL-HISTIDINEA1NWK0.78
HIC4-METHYL-HISTIDINEA,S1C0G0.78
HIC4-METHYL-HISTIDINEA,S1EQY0.78
HIC4-METHYL-HISTIDINEA2PAV0.78
HIC4-METHYL-HISTIDINEA2Q0U0.78
HIC4-METHYL-HISTIDINEA,B2HMP0.78
HIC4-METHYL-HISTIDINEA2PBD0.78
HIC4-METHYL-HISTIDINEA,S1DEJ0.78
HIC4-METHYL-HISTIDINEA,S1ESV0.78
HIC4-METHYL-HISTIDINEA1J6Z0.78
HIC4-METHYL-HISTIDINEA1WUA0.78
HIC4-METHYL-HISTIDINEA,B1YXQ0.78
HIC4-METHYL-HISTIDINEA1S220.78
HIC4-METHYL-HISTIDINEA,B,D,E2A400.78
HIC4-METHYL-HISTIDINEA1QZ50.78
HIC4-METHYL-HISTIDINEA2ZWH0.78
HIC4-METHYL-HISTIDINEA,B2A410.78
HIC4-METHYL-HISTIDINEB1MA90.78
HIC4-METHYL-HISTIDINEA,G3CI50.78
HIC4-METHYL-HISTIDINEA1Y640.78
HIC4-METHYL-HISTIDINEA,P1HLU0.78
HIC4-METHYL-HISTIDINEA,B2A3Z0.78
HIC4-METHYL-HISTIDINEA2FXU0.78
HIC4-METHYL-HISTIDINEA,G3CIP0.78
HIC4-METHYL-HISTIDINEA2GWJ0.78
HIC4-METHYL-HISTIDINEA,B2VCP0.78
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.83
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.86
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.86
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.71
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.71
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.74
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.77
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.77
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.73
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.73
NEPN1-PHOSPHONOHISTIDINEA1E580.73
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.73
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.73
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.73
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.73
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.73
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.73
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.73
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.73
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.73
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.73
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.73
NEPN1-PHOSPHONOHISTIDINEA1QWO0.73
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.73
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.73
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.82
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.83
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.74
RIGARGADINA,B1W9U0.82
RIGARGADINA1WAW0.82
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.84
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.94
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.78
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.78
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.78
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.78
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.78
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.78
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.74
HSMHISTAMINEA,B1U180.75
HSMHISTAMINEA1AVN0.75
HSMHISTAMINEA,B1KAR0.75
HSMHISTAMINEA,B1NP10.75
HSMHISTAMINEA,B1JQD0.75
HSMHISTAMINEA,B2QEB0.75
HSMHISTAMINEA,B1QFV0.75
HSMHISTAMINEA1IKE0.75
HSMHISTAMINEA3BU10.75
HSMHISTAMINEA,B1QFT0.75
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.76
HIPND1-PHOSPHONOHISTIDINEA1NSP0.76
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.76
HIPND1-PHOSPHONOHISTIDINEA1PFH0.76
HIPND1-PHOSPHONOHISTIDINEA1JEM0.76
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.73
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.72
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.72
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.72
HSOHISTIDINOLA,B1H3J0.85
HSOHISTIDINOLA,B,C,D1KMN0.85
HSOHISTIDINOLA,B2FPU0.85
HSOHISTIDINOLA,B1KAE0.85
HSOHISTIDINOLN2BKD0.85
DHID-HISTIDINEP1MCB0.8
DHID-HISTIDINEA2EZ70.8
DHID-HISTIDINEP1MCN0.8
DHID-HISTIDINEA,D1CZQ0.8
DHID-HISTIDINEI1ER80.8
DHID-HISTIDINEP1MCL0.8
DHID-HISTIDINEA,B,C,D3BOG0.8
DHID-HISTIDINEA,L1ZEA0.8
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.81
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.81
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.77
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.88
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.88
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.88
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.88
HIAL-HISTIDINE AMIDEB1URL0.9
PSH1-thiophosphono-L-histidineA2R7C0.72
MH11-methyl-L-histidineA,B3G880.78
MH11-methyl-L-histidineA,B3G890.78
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.78