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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02120305

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.76
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.73
TNSA,B,L2G2R0.79
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.85
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.78
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.76
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.75
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.71
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.77
HFTHYDROXYFLUTAMIDEA2AX60.73
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.73
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.73
AAHH1KEL0.75
AAHB,H1FL60.75
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.85
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.77
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.73
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.7
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.72
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
BEL2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-
N-(2',3'-DIOXOPROPYL)BENZAMIDE
A,B1OON0.7