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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02232870

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D4GA,B,C,D2FDY0.89
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
3AP3-AMINOPYRIDINEA1AEF0.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.77
ISQISOQUINOLINEA1GDK0.71
PYS2-PYRIDINETHIOLA,B1CTE0.82
PYS2-PYRIDINETHIOLA2IPP0.82
4AP4-AMINOPYRIDINEA1AEG0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.8
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
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.74
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.7
2862-ethenyl-1-methylpyridiniumX2RC20.75
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.75
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.73
EPJEPIBATIDINEA,B,C,D,E2BYQ0.72
NTNISONICOTINAMIDINEA7ADH0.74
3MP3-METHYLPYRIDINEA1EUB0.76
3MP3-METHYLPYRIDINEA1BM60.76