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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005555

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3IL3-(INDOL-3-YL) LACTATEA2A7P0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.75
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
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.9
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.9
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.9
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.75
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.75
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.88
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.71
INDINDOLEA1L4H0.92
INDINDOLEA,B,G1O7N0.92
INDINDOLEA185L0.92
INDINDOLEA,B1EG90.92
INDINDOLEA,B1UUV0.92
INDINDOLEA,C,E2B240.92
INDINDOLEA,B,C,D,E,F2P850.92
LL13-pyridin-4-yl-1H-indazoleA3DNE0.77
ABZ4-[4-AMINO-6-(5-CHLORO-1H-INDOL-
4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-
BENZONITRILE		A1S9G0.79
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA		A2PE10.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.74
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.74
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.74
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.74
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.71
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.76
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium		A2VO70.73
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium		A2VO60.73
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.71
BTR6-BROMO-TRYPTOPHANA1WCT0.7
LTNL-TRYPTOPHANAMIDEA1MAU0.81
LTNL-TRYPTOPHANAMIDEA,B2QUI0.81
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.78
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.79
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.79
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.71
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.76
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.75
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.75
EPJEPIBATIDINEA,B,C,D,E2BYQ0.79
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.79
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW00.73
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2ERP0.73
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW10.73
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B,D,E2E3X0.73
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B1PWU0.73
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.73
4FW4-FLUOROTRYPTOPHANEA1RM90.74
DTRD-TRYPTOPHANA,B,C,D2R3C0.75
DTRD-TRYPTOPHANA1XY80.75
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.75
DTRD-TRYPTOPHANA2V7K0.75
DTRD-TRYPTOPHANA,D1CZQ0.75
DTRD-TRYPTOPHANA1DFY0.75
DTRD-TRYPTOPHANA1XY50.75
DTRD-TRYPTOPHANA1NXN0.75
DTRD-TRYPTOPHANA1TKF0.75
DTRD-TRYPTOPHANA1YL90.75
DTRD-TRYPTOPHANA1XXZ0.75
DTRD-TRYPTOPHANA1XY40.75
DTRD-TRYPTOPHANA,D2Q3I0.75
DTRD-TRYPTOPHANA1QFB0.75
DTRD-TRYPTOPHANA1DFZ0.75
DTRD-TRYPTOPHANA1XY90.75
DTRD-TRYPTOPHANA1XY60.75
DTRD-TRYPTOPHANA2SOC0.75
DTRD-TRYPTOPHANA2JUE0.75
DTRD-TRYPTOPHANA1SOC0.75
DTRD-TRYPTOPHANA1YL80.75
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.75
DTRD-TRYPTOPHANA,B2Q330.75
DTRD-TRYPTOPHANA1DG00.75
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.75
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.72
DTE7-CL-D-TRYPTOPHANA2V7M0.78
FTRFLUOROTRYPTOPHANEA2JT80.74
FTRFLUOROTRYPTOPHANEA,B1NF00.74
FTRFLUOROTRYPTOPHANEA2JTZ0.74
FTRFLUOROTRYPTOPHANEA,B1I450.74
FTRFLUOROTRYPTOPHANEA,B2ZNX0.74
FTRFLUOROTRYPTOPHANEA,B1NEY0.74
FTRFLUOROTRYPTOPHANEA,B5FWG0.74
M031-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine		A,I2VO00.72
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.72
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		1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
5Z55-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-
2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE		A2JAV0.73
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.82
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE		A,B1XOI0.73
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.81
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.81
6CW6-CHLORO-L-TRYPTOPHANB2GV20.79
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.79
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.79
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.71
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.71
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.71
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.74
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.74
J074-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-
2-yl]amino}-N-ethylpiperidine-1-
carboxamide		A2P330.76
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.74
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.77
TPLTRYPTOPHANOLA1EE70.8
1001-(5-CHLOROINDOL-3-YL)-3-HYDROXY-
3-(2H-TETRAZOL-5-YL)-PROPENONE		A,B,C1QS40.74
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.74
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
3ID3H-INDOLE-5,6-DIOLA1F9B0.7
3ID3H-INDOLE-5,6-DIOLA1OYO0.7
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.78
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.71
ISQISOQUINOLINEA1GDK0.7
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.7
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.73
4IN4-AMINO-L-TRYPTOPHANA1OXF0.73
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		A1MMQ0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.9
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.9
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.9
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.9
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.78
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.78
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.78
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.78
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.79
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.76
ME43-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-
1H-INDOLE-6-CARBOXAMIDE		A2P940.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.77
IOPINDOLYLPROPIONIC ACIDA2OLI0.77
IOPINDOLYLPROPIONIC ACIDA,B2AY50.77
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.7
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.76
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.8
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.71
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.71
CTE7-CHLOROTRYPTOPHANA2AR80.78
CTE7-CHLOROTRYPTOPHANA2V7L0.78
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.75
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.71
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine		A,B3B3P0.71
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine		A,B3DQT0.71
SROSEROTONINA,B3BRN0.73
SROSEROTONINA2QEH0.73
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.75
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
IIE1-{2-[(4-CHLOROPHENYL)AMINO]-2-
OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE		B2BQW0.71
2MI2-METHYL-1H-INDOLEA2PIO0.83
M041-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine		A2VO30.72
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.8
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZM10.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.76
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.76