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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02116703

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LZ11H-indazoleA,B3E6I0.73
LZ11H-indazoleA2VTA0.73
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.73
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.76
5B25-phenyl-1H-indazol-3-amineA3E630.72
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.78
LZE4-{[(2,6-dichlorophenyl)carbonyl]amino}-
N-piperidin-4-yl-1H-pyrazole-3-
carboxamide
A2VU30.7
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.81
LL13-pyridin-4-yl-1H-indazoleA3DNE0.75
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.72
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.72
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.73
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.73
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.77
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.71
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY1
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.71
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE
A,B,C3STD0.7
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A,B3GEQ0.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A2ZV90.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A1QPE0.71
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.81
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.73
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.71
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.7
FRB2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-
PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-
1-YL}-2-OXO-ETHYL)-2-GUANIDINO-
ACETAMIDE
A,B1PW60.77
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.83
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.83