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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00341266

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H1O5D0.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H1O5F0.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
B1O5C0.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H,I1O5G0.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
A1O2R0.73
R03ALLYL-{6-[3-(4-BROMO-PHENYL)-1-
METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-
N-METHYLAMINE
A,B,C1H390.82
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,E,I,L,P3E8E0.71
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E8D0.71
IP7N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-
2-YLMETHOXY)BENZYL]PYRIDINE-2,3-
DIAMINE
A2OHU0.71
1336-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-
PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GJ80.71
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2K0.75
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2J0.75
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI90.71
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GI50.71
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.72
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
A1O2S0.7
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
B1P570.7
KN14-[1-allyl-7-(trifluoromethyl)-
1H-indazol-3-yl]benzene-1,3-diol
A,B2QZO0.71
SIESULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-
1H-INDOL-6-YL ESTER
A2BRP0.71
9502-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2O0.74
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.74
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.74
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
B1O3P0.74
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2I0.74
2PY(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-
YL]PROPAN-2-AMINE
E2OH00.7
3HT5-[1-(4-methoxyphenyl)-1H-benzimidazol-
6-yl]-1,3,4-oxadiazole-2(3H)-thione
A,B3F880.71
R79N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISOTHIAZOL-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1H3C0.7
CR32-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2H0.72
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.75
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.71
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.7
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B403D0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A129D0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B130D0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A3F8C0.72
YSH1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-
1H-PYRAZOLE-4-CARBOXYLIC ACID
A,B1VDV0.71
R46N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-
3-YL)PHENOXY]HEXYL}-N-METHYL-2-
PROPEN-1-AMINE
A,B,C1H3B0.7
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.71
8067-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-
2-CARBOXIMIDAMID
A1QB90.71
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.73
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,C,D,E,F3E8C0.7
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E880.7
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
G2FJV0.73
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
B2FJX0.73
9722-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2P0.7
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3M0.71
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3O0.71
7852-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE
A1O3N0.71
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol
A2RH10.73
R04(2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-
5-FLUORO-1-METHYL-1H-INDAZOL-6-
YL]OXY}-N-METHYL-2-BUTEN-1-AMINE
A,B,C1H3A0.8
E97[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-
PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-
2-YL}-PHENOXY)-PROPYL]-DIMETHYL-
AMINE
A1FTD0.72
T4BA2NNQ0.72
SS3(2S)-1-{[5-(3-METHYL-1H-INDAZOL-
5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-
2-AMINE
A2UZT0.73
JEN3-METHOXY-6-[4-(3-METHYLPHENYL)-
1-PIPERAZINYL]PYRIDAZINE
11R090.71
JEN3-METHOXY-6-[4-(3-METHYLPHENYL)-
1-PIPERAZINYL]PYRIDAZINE
12HWF0.71
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.7
SS5(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-
3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2UZV0.7
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.71
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID
A1KNU0.7
6EA(1S)-1-(1H-INDOL-3-YLMETHYL)-2-
(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-
5-YLOXY)-EHYLAMINE
E2F7Z0.71
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.72
7117-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-2-METHYL-BENZIMIDAZOL-
1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID
A1QBO0.71