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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00820810

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.8
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.7
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
A8BA1ODC0.72
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
34A3,4-DIMETHYLANILINEA1L4K0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
271N-methyl-1-phenylmethanamineX2RBT0.71
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
1MRN-METHYLANILINEX2OTZ0.7
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.71
HFTHYDROXYFLUTAMIDEA2AX60.71
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.79
264(phenylamino)acetonitrileA2RBN0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.76
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.75
AAHH1KEL0.72
AAHB,H1FL60.72