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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00716279

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.79
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.77
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.77
TNSA,B,L2G2R0.76
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.75
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.75
TSNTRICHOSTATIN AA,B1T640.74
TSNTRICHOSTATIN AA,B1C3R0.74
TSNTRICHOSTATIN AA,B,C3F0R0.74
TSNTRICHOSTATIN AA,B,C3C100.74
AAHH1KEL0.74
AAHB,H1FL60.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
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
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
TTXTENTOXINB1KMH0.72
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.72
HFTHYDROXYFLUTAMIDEA2AX60.71
CRIA,B1VKG0.71