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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02482649

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AP3-AMINOPYRIDINEA1AEF0.78
26DPYRIDINE-2,6-DIAMINEA2ANZ0.73
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.85
APY2-AMINOMETHYL-PYRIDINEI1IVP0.85
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.8
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.8
DA1PYRIDINE-2,5-DIAMINEA2AQD0.74
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
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.81
D4GA,B,C,D2FDY0.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.73
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
2755-amino-1,2-dimethylpyridiniumX2RBW0.81
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.75
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.7
THATACRINEA,B2AOW0.7
THATACRINEA,B,C,D,E,F1MX10.7
THATACRINEA,B2AOX0.7
THATACRINEA1ACJ0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
PYS2-PYRIDINETHIOLA,B1CTE0.74
PYS2-PYRIDINETHIOLA2IPP0.74
NTNISONICOTINAMIDINEA7ADH0.74
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
4AP4-AMINOPYRIDINEA1AEG0.74
2862-ethenyl-1-methylpyridiniumX2RC20.78
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.7
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.7