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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03322708

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4MZ4-METHYLIMIDAZOLEA1DTM0.71
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.71
4MZ4-METHYLIMIDAZOLEA2FNN0.71
4MZ4-METHYLIMIDAZOLEA1MOO0.71
4MZ4-METHYLIMIDAZOLEA1G0E0.71
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.74
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.74
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.74
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.74
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.74
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.74
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.77
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.77
GIRGIRODAZOLE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTL0.88
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.72
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.72
NEPN1-PHOSPHONOHISTIDINEA1E580.72
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.72
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.72
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.72
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.72
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.72
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.72
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.72
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.72
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.72
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.72
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.72
NEPN1-PHOSPHONOHISTIDINEA1QWO0.72
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.72
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.72
HSMHISTAMINEA,B1U180.76
HSMHISTAMINEA1AVN0.76
HSMHISTAMINEA,B1KAR0.76
HSMHISTAMINEA,B1NP10.76
HSMHISTAMINEA,B1JQD0.76
HSMHISTAMINEA,B2QEB0.76
HSMHISTAMINEA,B1QFV0.76
HSMHISTAMINEA1IKE0.76
HSMHISTAMINEA3BU10.76
HSMHISTAMINEA,B1QFT0.76
HSOHISTIDINOLA,B1H3J0.76
HSOHISTIDINOLA,B,C,D1KMN0.76
HSOHISTIDINOLA,B2FPU0.76
HSOHISTIDINOLA,B1KAE0.76
HSOHISTIDINOLN2BKD0.76
HIAL-HISTIDINE AMIDEB1URL0.74
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.82
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.82
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.82
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.74
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.74
HIC4-METHYL-HISTIDINEA2Q970.74
HIC4-METHYL-HISTIDINEA1QZ60.74
HIC4-METHYL-HISTIDINEA3CHW0.74
HIC4-METHYL-HISTIDINEA,B2GWK0.74
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.74
HIC4-METHYL-HISTIDINEA2ASO0.74
HIC4-METHYL-HISTIDINEA,B2D1K0.74
HIC4-METHYL-HISTIDINEA,S1C0F0.74
HIC4-METHYL-HISTIDINEA,D1ATN0.74
HIC4-METHYL-HISTIDINEA,B2A420.74
HIC4-METHYL-HISTIDINEA,P2BTF0.74
HIC4-METHYL-HISTIDINEA,B1LOT0.74
HIC4-METHYL-HISTIDINEA1NWK0.74
HIC4-METHYL-HISTIDINEA,S1C0G0.74
HIC4-METHYL-HISTIDINEA,S1EQY0.74
HIC4-METHYL-HISTIDINEA2PAV0.74
HIC4-METHYL-HISTIDINEA2Q0U0.74
HIC4-METHYL-HISTIDINEA,B2HMP0.74
HIC4-METHYL-HISTIDINEA2PBD0.74
HIC4-METHYL-HISTIDINEA,S1DEJ0.74
HIC4-METHYL-HISTIDINEA,S1ESV0.74
HIC4-METHYL-HISTIDINEA1J6Z0.74
HIC4-METHYL-HISTIDINEA1WUA0.74
HIC4-METHYL-HISTIDINEA,B1YXQ0.74
HIC4-METHYL-HISTIDINEA1S220.74
HIC4-METHYL-HISTIDINEA,B,D,E2A400.74
HIC4-METHYL-HISTIDINEA1QZ50.74
HIC4-METHYL-HISTIDINEA2ZWH0.74
HIC4-METHYL-HISTIDINEA,B2A410.74
HIC4-METHYL-HISTIDINEB1MA90.74
HIC4-METHYL-HISTIDINEA,G3CI50.74
HIC4-METHYL-HISTIDINEA1Y640.74
HIC4-METHYL-HISTIDINEA,P1HLU0.74
HIC4-METHYL-HISTIDINEA,B2A3Z0.74
HIC4-METHYL-HISTIDINEA2FXU0.74
HIC4-METHYL-HISTIDINEA,G3CIP0.74
HIC4-METHYL-HISTIDINEA2GWJ0.74
HIC4-METHYL-HISTIDINEA,B2VCP0.74
MH11-methyl-L-histidineA,B3G880.74
MH11-methyl-L-histidineA,B3G890.74
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.74
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.76
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.76
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
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.73
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.71
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
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.72
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.71
PSH1-thiophosphono-L-histidineA2R7C0.72
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.73