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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02219569

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile
A3CY30.7
THZBENZOTHIAZOLEH,I,R1TBZ0.79
THZBENZOTHIAZOLEH,I,R1B5G0.79
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.79
NTNISONICOTINAMIDINEA7ADH0.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.91
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.91
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.91
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
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
1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.71
D4GA,B,C,D2FDY0.71
PYS2-PYRIDINETHIOLA,B1CTE0.77
PYS2-PYRIDINETHIOLA2IPP0.77
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.71
ISQISOQUINOLINEA1GDK0.73