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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00802955

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.8
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
CLMCHLORAMPHENICOLA1K010.74
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.74
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.74
CLMCHLORAMPHENICOLA2XAT0.74
CLMCHLORAMPHENICOLA4CLA0.74
CLMCHLORAMPHENICOLA1CLA0.74
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.74
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.74
CLMCHLORAMPHENICOLA,B2UXP0.74
CLMCHLORAMPHENICOLA1QHS0.74
CLMCHLORAMPHENICOLA1QHY0.74
CLMCHLORAMPHENICOLA3CLA0.74
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.76
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.71
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.87
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.71
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.73
HFTHYDROXYFLUTAMIDEA2AX60.76
AAHH1KEL0.74
AAHB,H1FL60.74
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.76
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.71
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.73
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1INE0.71
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1IND0.71