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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03541614

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.82
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.72
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.74
3SC5-(2,3-dichlorophenyl)-N-(pyridin-
4-ylmethyl)-3-thiocyanatopyrazolo[1,5-
a]pyrimidin-7-amine
A2R3P0.72
EPJEPIBATIDINEA,B,C,D,E2BYQ0.79
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.7
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
1UW60.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.76
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.72
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.73
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.73
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.76
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.73
CK14-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-
2-AMINE
A1PXI0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
SC85-(2,3-dichlorophenyl)-N-(pyridin-
4-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3F0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.75
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.75
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.75
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.72
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.74
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.73
ISQISOQUINOLINEA1GDK0.73