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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02298154

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.85
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.79
HIAL-HISTIDINE AMIDEB1URL0.78
HSMHISTAMINEA,B1U180.77
HSMHISTAMINEA1AVN0.77
HSMHISTAMINEA,B1KAR0.77
HSMHISTAMINEA,B1NP10.77
HSMHISTAMINEA,B1JQD0.77
HSMHISTAMINEA,B2QEB0.77
HSMHISTAMINEA,B1QFV0.77
HSMHISTAMINEA1IKE0.77
HSMHISTAMINEA3BU10.77
HSMHISTAMINEA,B1QFT0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.75
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMN0.74
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A1EMF0.74
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMD0.74
CSH[2-(2-HYDROXY-1-METHYL-ETHYL)-4-
(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-
IMIDAZOLIDIN-1-YL]-ACETIC ACID
A2EMO0.74
IIC4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHOREA1BFP0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Z0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8Y0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F2ZIT0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM30.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A1U2R0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM90.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B780.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B8H0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
T2P8X0.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F3B820.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,B,C,D,E,F1ZM40.73
DDE{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-
1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-
TRIMETHYL-AMMONIUM
A,C,E1ZM20.73
HSOHISTIDINOLA,B1H3J0.73
HSOHISTIDINOLA,B,C,D1KMN0.73
HSOHISTIDINOLA,B2FPU0.73
HSOHISTIDINOLA,B1KAE0.73
HSOHISTIDINOLN2BKD0.73
TEPTHEOPHYLLINEA1EHT0.72
TEPTHEOPHYLLINEA,B2A3A0.72
TEPTHEOPHYLLINEA1O150.72
BDHL-BETA-ASPARTYLHISTIDINEA,B1YBQ0.72
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.71
PVHHISTIDINE-METHYL-ESTERB,D,F1IBV0.7
PVHHISTIDINE-METHYL-ESTERB,D,F1IBW0.7
4MZ4-METHYLIMIDAZOLEA1DTM0.7
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.7
4MZ4-METHYLIMIDAZOLEA2FNN0.7
4MZ4-METHYLIMIDAZOLEA1MOO0.7
4MZ4-METHYLIMIDAZOLEA1G0E0.7
CRG[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
A1KYS0.7
CRG[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
A1KYR0.7
CRG[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
A1KYP0.7