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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01210406

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE
A1WVX0.73
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE
A,B1XOI0.72
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.73
J605-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-[2-
(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-
1H-PYRROLE-3-CARBOXAMIDE
A,B2JAM0.72
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A1DL80.72
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.76
DMYDISTAMYCIN AA217D0.7
DMYDISTAMYCIN AA1K2Z0.7
DMYDISTAMYCIN AA,B,E,F2JT70.7
DMYDISTAMYCIN AA,B267D0.7
DMYDISTAMYCIN AA306D0.7
DMYDISTAMYCIN AA304D0.7
DMYDISTAMYCIN AA305D0.7
DMYDISTAMYCIN AA1JUX0.7
DMYDISTAMYCIN AA2DND0.7
DMYDISTAMYCIN AA,B,C,D378D0.7
DMYDISTAMYCIN AB1JTL0.7
DMYDISTAMYCIN AA159D0.7
DMYDISTAMYCIN AA216D0.7
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1O0D0.75
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone
A,B,D,E3CH60.75
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE
A2PE20.7
LTNL-TRYPTOPHANAMIDEA1MAU0.71
LTNL-TRYPTOPHANAMIDEA,B2QUI0.71
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.73
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.73
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.74
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D2Q1L0.71
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D3CD70.71
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE
A1MMR0.73
CMI1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-
1H-INDOLE-2-CARBOXYLIC ACID 3,5-
DIMETHYL-BENZYLAMIDE
B1LQD0.77
CMB1-(3-carbamimidoylbenzyl)-N-(3,5-
dichlorobenzyl)-4-methyl-1H-indole-
2-carboxamide
B1LPZ0.72
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A,B3G0F0.75
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A3G0E0.75
MB9(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-
tetrahydrospiro[beta-carboline-
3,4'-piperidine]-4-carbonitrile
A3CY20.73
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.71
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE
A2IGX0.7
PEBPHYCOERYTHROBILINA,B1PHN0.7
PEBPHYCOERYTHROBILINA,B,C,D1QGW0.7
PEBPHYCOERYTHROBILINA,B,C,D1XG00.7
PEBPHYCOERYTHROBILINA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.7
PEBPHYCOERYTHROBILINA,B,C,D2VJH0.7
PEBPHYCOERYTHROBILINA,B,K,L,M,N1F990.7
PEBPHYCOERYTHROBILINA,B,K,L1B8D0.7
PEBPHYCOERYTHROBILINA,B,C,D1XF60.7
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE
A,B1SHL0.75
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B2DW00.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B2ERP0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B2DW10.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B,D,E2E3X0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B1PWU0.71
DAJDECARBAMOYL-2,7-DIAMINOMITOSENEA,B1JO10.78
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
A,B2I0E0.71
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.72
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.72
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.75
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.72
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.73
PUBPHYCOUROBILINA,B,K,L1B8D0.7
PUBPHYCOUROBILINA,B,K,L1LIA0.7
PUBPHYCOUROBILINA,B,K,L1EYX0.7
PUBPHYCOUROBILINA,B,C,D2VJH0.7
DBQDEBROMOHYMENIALDISINEA2C3J0.75
DBQDEBROMOHYMENIALDISINEA,B1U4D0.75
DBQDEBROMOHYMENIALDISINEA2CN80.75
DBQDEBROMOHYMENIALDISINEA1Z570.75
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE
A,B,C,D,E,F1P440.71
HYM(4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-
4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-
4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-
8(1H)-ONE
A1ZLT0.72
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.73
4113-bromo-N-[4-[1-(2-carbamimidamido-
2-oxo-ethyl)-5-phenyl-pyrrol-2-
yl]phenyl]benzamide
A2ZE10.71
H7JN-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-
3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-
1,2-DIMETHYLPROPYL]BENZAMIDE
A,B,C2HXZ0.71
H7JN-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-
3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-
1,2-DIMETHYLPROPYL]BENZAMIDE
A,B2H7J0.71
DBV15,16-DIHYDROBILIVERDINA,B,C,D1XF60.72
DBV15,16-DIHYDROBILIVERDINA,B,C,D1QGW0.72
DBV15,16-DIHYDROBILIVERDINA,B,C,D1XG00.72
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.73
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
2,H,K,N,V,Y2F160.7
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE
A,B3E680.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.72
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE
A1CVZ0.73
RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-
1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YL)-
SUCCINAMIDE
A1MMQ0.73
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.7
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE
A,B1LX60.77
IIE1-{2-[(4-CHLOROPHENYL)AMINO]-2-
OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE
B2BQW0.76
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2I0T0.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
A,B,C,D,K,L,
M,N
2J570.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2OK40.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2IUR0.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2AGW0.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
A,B,H,L,M2J560.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2IUV0.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2OK60.71
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1NZQ0.76