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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03922543

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
PSH1-thiophosphono-L-histidineA2R7C0.8
DHID-HISTIDINEP1MCB0.89
DHID-HISTIDINEA2EZ70.89
DHID-HISTIDINEP1MCN0.89
DHID-HISTIDINEA,D1CZQ0.89
DHID-HISTIDINEI1ER80.89
DHID-HISTIDINEP1MCL0.89
DHID-HISTIDINEA,B,C,D3BOG0.89
DHID-HISTIDINEA,L1ZEA0.89
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBO0.85
MHSN1-METHYLATED HISTIDINEA,C,D,F1MRO0.85
MHSN1-METHYLATED HISTIDINEA,C,D,F1E6Y0.85
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBM0.85
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBN0.85
MHSN1-METHYLATED HISTIDINEA,B,C,D,E,F1HBU0.85
HIAL-HISTIDINE AMIDEB1URL0.86
LEHN-[12-(1H-imidazol-1-yl)dodecanoyl]-
L-leucine
A,B3BEN0.71
HIC4-METHYL-HISTIDINEA2Q970.85
HIC4-METHYL-HISTIDINEA1QZ60.85
HIC4-METHYL-HISTIDINEA3CHW0.85
HIC4-METHYL-HISTIDINEA,B2GWK0.85
HIC4-METHYL-HISTIDINEA,B,D,E1MDU0.85
HIC4-METHYL-HISTIDINEA2ASO0.85
HIC4-METHYL-HISTIDINEA,B2D1K0.85
HIC4-METHYL-HISTIDINEA,S1C0F0.85
HIC4-METHYL-HISTIDINEA,D1ATN0.85
HIC4-METHYL-HISTIDINEA,B2A420.85
HIC4-METHYL-HISTIDINEA,P2BTF0.85
HIC4-METHYL-HISTIDINEA,B1LOT0.85
HIC4-METHYL-HISTIDINEA1NWK0.85
HIC4-METHYL-HISTIDINEA,S1C0G0.85
HIC4-METHYL-HISTIDINEA,S1EQY0.85
HIC4-METHYL-HISTIDINEA2PAV0.85
HIC4-METHYL-HISTIDINEA2Q0U0.85
HIC4-METHYL-HISTIDINEA,B2HMP0.85
HIC4-METHYL-HISTIDINEA2PBD0.85
HIC4-METHYL-HISTIDINEA,S1DEJ0.85
HIC4-METHYL-HISTIDINEA,S1ESV0.85
HIC4-METHYL-HISTIDINEA1J6Z0.85
HIC4-METHYL-HISTIDINEA1WUA0.85
HIC4-METHYL-HISTIDINEA,B1YXQ0.85
HIC4-METHYL-HISTIDINEA1S220.85
HIC4-METHYL-HISTIDINEA,B,D,E2A400.85
HIC4-METHYL-HISTIDINEA1QZ50.85
HIC4-METHYL-HISTIDINEA2ZWH0.85
HIC4-METHYL-HISTIDINEA,B2A410.85
HIC4-METHYL-HISTIDINEB1MA90.85
HIC4-METHYL-HISTIDINEA,G3CI50.85
HIC4-METHYL-HISTIDINEA1Y640.85
HIC4-METHYL-HISTIDINEA,P1HLU0.85
HIC4-METHYL-HISTIDINEA,B2A3Z0.85
HIC4-METHYL-HISTIDINEA2FXU0.85
HIC4-METHYL-HISTIDINEA,G3CIP0.85
HIC4-METHYL-HISTIDINEA2GWJ0.85
HIC4-METHYL-HISTIDINEA,B2VCP0.85
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.89
3AH[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-
5-YL]-AMINE
A,B,C,D1DGH0.8
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETS0.85
HS83-(1-sulfo-1H-imidazol-3-ium-4-
yl)-L-alanine
A,B3ETT0.85
XXY2-[(1R,2R)-1-amino-2-hydroxypropyl]-
1-(carboxymethyl)-4-(1H-imidazol-
5-ylmethyl)-1H-imidazol-5-olate
A2FWQ0.78
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.93
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.93
720(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-
4-YL)METHYL]PENTANOIC ACID
A2JEW0.79
HSOHISTIDINOLA,B1H3J0.81
HSOHISTIDINOLA,B,C,D1KMN0.81
HSOHISTIDINOLA,B2FPU0.81
HSOHISTIDINOLA,B1KAE0.81
HSOHISTIDINOLN2BKD0.81
HIQ1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-
L-HISTIDINE
A,B2IU40.81
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.79
HIPND1-PHOSPHONOHISTIDINEA,B,C,D,E,F2VME0.84
HIPND1-PHOSPHONOHISTIDINEA1NSP0.84
HIPND1-PHOSPHONOHISTIDINEA,B,C1NSQ0.84
HIPND1-PHOSPHONOHISTIDINEA1PFH0.84
HIPND1-PHOSPHONOHISTIDINEA1JEM0.84
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.85
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.85
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.91
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.91
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.91
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.91
RIGARGADINA,B1W9U0.83
RIGARGADINA1WAW0.83
NEPN1-PHOSPHONOHISTIDINEA,B3FDZ0.81
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2NU60.81
NEPN1-PHOSPHONOHISTIDINEA1E580.81
NEPN1-PHOSPHONOHISTIDINEA,B1TIP0.81
NEPN1-PHOSPHONOHISTIDINEA,B2QE60.81
NEPN1-PHOSPHONOHISTIDINEA,B,C1WVQ0.81
NEPN1-PHOSPHONOHISTIDINEA,B2HHJ0.81
NEPN1-PHOSPHONOHISTIDINEA,B,D,E,F,G,
H,I
2NU90.81
NEPN1-PHOSPHONOHISTIDINEA,B1EUD0.81
NEPN1-PHOSPHONOHISTIDINEA,D1SCU0.81
NEPN1-PHOSPHONOHISTIDINEA,B2FPP0.81
NEPN1-PHOSPHONOHISTIDINEA,B2HWG0.81
NEPN1-PHOSPHONOHISTIDINEA,B1VSQ0.81
NEPN1-PHOSPHONOHISTIDINEA,B2FPI0.81
NEPN1-PHOSPHONOHISTIDINEA1QWO0.81
NEPN1-PHOSPHONOHISTIDINEA,B,D,E2SCU0.81
NEPN1-PHOSPHONOHISTIDINEA,B2FP40.81
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D2VVI0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D1ZUX0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2DDD0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2DDC0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D2VVH0.7
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2GW30.7
HRBN-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-
2-PENTYLTETRAHYDROFURAN-3-YL]-L-
HISTIDINE
H,L2DDQ0.79
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.84
MH11-methyl-L-histidineA,B3G880.85
MH11-methyl-L-histidineA,B3G890.85
MH11-methyl-L-histidineA,B,C,D,E,F3G8A0.85
GI2METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLEA,B2J7E0.71
CRG[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
A1KYS0.73
CRG[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
A1KYR0.73
CRG[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
A1KYP0.73
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1GEX0.74
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A,B,C,D1UU10.74
HSAPHOSPHORIC ACID MONO-[2-AMINO-3-
(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
A1FG30.74
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.93
NZH(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-
5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
A1WVP0.73
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