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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02998529

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.75
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.75
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.75
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE
H,P2A2X0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.71
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.8
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.75
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
2862-ethenyl-1-methylpyridiniumX2RC20.81
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.75
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.75
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.78
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.78
QUI2-CARBOXYQUINOXALINEA1PFE0.73
QUI2-CARBOXYQUINOXALINEA,B2DA80.73
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.73
QUI2-CARBOXYQUINOXALINEA1VS20.73
QUI2-CARBOXYQUINOXALINEA1XVN0.73
QUI2-CARBOXYQUINOXALINEA,B185D0.73
QUI2-CARBOXYQUINOXALINEA1XVK0.73
QUI2-CARBOXYQUINOXALINEA,C1XVR0.73
QUI2-CARBOXYQUINOXALINEA,B3GO30.73
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.75