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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03085969

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JM1FLOURINATED PYRIDOCARBAZOLE CYCLOPENTADIENYL RU(CO) COMPLEXX2OI40.74
SA32,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-
6,7,12,13-TETRAHYDROINDOLO[2,3-
A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE		A,C,D1SEU0.75
XDRhexyl (5S,6R,8R)-6-hydroxy-5-methyl-
13-oxo-5,6,7,8-tetrahydro-13H-5,8-
epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-
jkl]cyclopenta[e]-as-indacene-6-
carboxylate		A,B3F690.81
HB1RUTHENIUM-PYRIDOCARBAZOLE-1A,B2IWI0.79
HB1RUTHENIUM-PYRIDOCARBAZOLE-1B2BZH0.79
FLLOCTAHEDRAL RU-PYRIDOCARBAZOLEA3FXZ0.74
CMI1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-
1H-INDOLE-2-CARBOXYLIC ACID 3,5-
DIMETHYL-BENZYLAMIDE		B1LQD0.75
1ST(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-
5-METHYL-7-(METHYLAMINO)-6,7,8,9-
TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-
TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4-
JKL]CYCLOPENTA[E]-AS-INDACEN-14-
ONE		12HY80.74
WBT3-FLUORO-5-MORPHOLIN-4-YL-N-[1-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
6-YL]BENZAMIDE		A1WBT0.71
5BN5-[(2-AMINOETHYL)AMINO]-6-FLUORO-
3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-
2(1H)-ONE		A1P2A0.75
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.7
BIMBIS-(INDOLE)MALEIMIDE PYRIDINOPHANEA,B2OW30.71
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.77
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A1X8B0.72
STUSTAUROSPORINEA,B3CBL0.86
STUSTAUROSPORINEA1QPJ0.86
STUSTAUROSPORINEA,B3CD30.86
STUSTAUROSPORINEA2ITU0.86
STUSTAUROSPORINEA,B2BUJ0.86
STUSTAUROSPORINEA,B2CLQ0.86
STUSTAUROSPORINEA1XBC0.86
STUSTAUROSPORINEA2ITW0.86
STUSTAUROSPORINEA1E8Z0.86
STUSTAUROSPORINEA1YHS0.86
STUSTAUROSPORINEA,B3D7T0.86
STUSTAUROSPORINEA1QPD0.86
STUSTAUROSPORINEA2Z7R0.86
STUSTAUROSPORINEA,B,C,D2NRY0.86
STUSTAUROSPORINEA1U590.86
STUSTAUROSPORINEA1NVR0.86
STUSTAUROSPORINEA,B,C,D2OIC0.86
STUSTAUROSPORINEA1AQ10.86
STUSTAUROSPORINEA1BYG0.86
STUSTAUROSPORINEA,B1SM20.86
STUSTAUROSPORINEX2DQ70.86
STUSTAUROSPORINEA3CKX0.86
STUSTAUROSPORINEA,B1Q3D0.86
STUSTAUROSPORINEE1STC0.86
STUSTAUROSPORINEA1OKY0.86
STUSTAUROSPORINEA1WVY0.86
STUSTAUROSPORINEA2HW70.86
STUSTAUROSPORINEA,B1SNU0.86
STUSTAUROSPORINEA2ITQ0.86
STUSTAUROSPORINEA,B,C,D1NXK0.86
STUSTAUROSPORINEA3BKB0.86
STUSTAUROSPORINEA1XJD0.86
STUSTAUROSPORINEA3FME0.86
STUSTAUROSPORINEA,B2GCD0.86
STUSTAUROSPORINEA,B,C2PZY0.86
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.84
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.76
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A,B2VD50.75
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UVR0.75
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.74
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.74
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.74
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.74
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.74
DRNBISINDOLYLMALEIMIDE IXA2V7O0.71
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		B2J2I0.76
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		A1UU30.76
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE		A,B,C,D,E,F1P440.73
BI43-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-
2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-
2,5-DIONE		A,B1SZM0.75
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.71
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.71
ME3RUTHENIUM-PYRIDOCARBAZOLE-3A2BZJ0.72
BI23-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-
1-METHYLPYRROLIDINYL]ETHYL}-1H-
INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A1UU70.75
KSAK-252AA1R0P0.86
KSAK-252AA3EQF0.86
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione		A3CR00.74
UCMREL-(9R,12S)-9,10,11,12-TETRAHYDRO-
9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-
KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-
1,3(2H)-DIONE		A1NVS1
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA2J0J0.86
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEB2J0M0.86
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B2J0K0.86
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA1YVJ0.86
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B,C2HZ40.86
CM7N-[(1S,2R)-1-benzyl-2-hydroxy-3-
{[3-(trifluoromethyl)benzyl]amino}propyl]-
7-ethyl-1-methyl-3,4-dihydro-1H-
[1,2,5]thiadiazepino[3,4,5-hi]indole-
9-carboxamide 2,2-dioxide		A2VNN0.72
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.74
UCN7-HYDROXYSTAUROSPORINEA1OKZ0.8
UCN7-HYDROXYSTAUROSPORINEA,C1PKD0.8
UCN7-HYDROXYSTAUROSPORINEA1NVQ0.8
DW2RU-PYRIDOCARBAZOLE-2B2BZI0.71
DW2RU-PYRIDOCARBAZOLE-2A3CSF0.71
P918-bromo-4-(2-chlorophenyl)-N-(2-
hydroxyethyl)-6-methyl-1,3-dioxo-
1,2,3,6-tetrahydropyrrolo[3,4-e]indole-
7-carboxamide		A3CQE0.73
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A2IO60.72
3964-(2-chlorophenyl)-9-hydroxy-6-
methyl-1,3-dioxo-N-(2-pyrrolidin-
1-ylethyl)pyrrolo[3,4-g]carbazole-
8-carboxamide		A3BI60.71
770N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-
1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-
9-YL]FORMAMIDE		A2Z2W0.77
DWCPYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEXA3BWF0.72
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.82
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE		A,B1R0E0.7
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.74
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE		A,B1Q3W0.71
AG1RUTHENIUM PYRIDOCARBAZOLEA,B2JLD0.73
CMB1-(3-carbamimidoylbenzyl)-N-(3,5-
dichlorobenzyl)-4-methyl-1H-indole-
2-carboxamide		B1LPZ0.71
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.73
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL		A,B1EM60.7
LI23-FLUORO-5-MORPHOLIN-4-YL-N-[3-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
5-YL]BENZAMIDE		A1WBS0.7