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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044123

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTR6-BROMO-TRYPTOPHANA1WCT0.72
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE		A,B1AOE0.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.7
5MB5-METHYLBENZIMIDAZOLEA1JHM0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.92
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.92
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.92
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.92
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.83
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.83
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.74
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.78
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.75
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.75
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.75
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A,B2VD50.7
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UVR0.7
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.77
BI23-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-
1-METHYLPYRROLIDINYL]ETHYL}-1H-
INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A1UU70.7
4FW4-FLUOROTRYPTOPHANEA1RM90.78
4AP4-AMINOPYRIDINEA1AEG0.71
FTRFLUOROTRYPTOPHANEA2JT80.78
FTRFLUOROTRYPTOPHANEA,B1NF00.78
FTRFLUOROTRYPTOPHANEA2JTZ0.78
FTRFLUOROTRYPTOPHANEA,B1I450.78
FTRFLUOROTRYPTOPHANEA,B2ZNX0.78
FTRFLUOROTRYPTOPHANEA,B1NEY0.78
FTRFLUOROTRYPTOPHANEA,B5FWG0.78
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.74
ASEN-ACETYL SEROTONINA1NAS0.71
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.72
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.71
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.71
BI43-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-
2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-
2,5-DIONE		A,B1SZM0.7
5BN5-[(2-AMINOETHYL)AMINO]-6-FLUORO-
3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-
2(1H)-ONE		A1P2A0.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.8
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.8
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.7
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A,B,C,D,E,F,
G,H,I,K,L		2JBP0.7
LTNL-TRYPTOPHANAMIDEA1MAU0.83
LTNL-TRYPTOPHANAMIDEA,B2QUI0.83
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.76
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.78
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
2MI2-METHYL-1H-INDOLEA2PIO0.85
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.82
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.82
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.82
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW00.75
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2ERP0.75
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW10.75
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B,D,E2E3X0.75
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B1PWU0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.75
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.75
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.8
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.74
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.9
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE		P1JVP0.7
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.72
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.71
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.77
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.71
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE		A,B1SHL0.73
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.8
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.8
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.72
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.72
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.72
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.72
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.72
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.8
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.8
INDINDOLEA1L4H0.95
INDINDOLEA,B,G1O7N0.95
INDINDOLEA185L0.95
INDINDOLEA,B1EG90.95
INDINDOLEA,B1UUV0.95
INDINDOLEA,C,E2B240.95
INDINDOLEA,B,C,D,E,F2P850.95
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.77
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.7
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.83
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.78
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.78
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.76
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.76
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.72
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		A1MMQ0.72
ABZ4-[4-AMINO-6-(5-CHLORO-1H-INDOL-
4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-
BENZONITRILE		A1S9G0.7
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.77
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		A1MMR0.71
DTRD-TRYPTOPHANA,B,C,D2R3C0.76
DTRD-TRYPTOPHANA1XY80.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.76
DTRD-TRYPTOPHANA2V7K0.76
DTRD-TRYPTOPHANA,D1CZQ0.76
DTRD-TRYPTOPHANA1DFY0.76
DTRD-TRYPTOPHANA1XY50.76
DTRD-TRYPTOPHANA1NXN0.76
DTRD-TRYPTOPHANA1TKF0.76
DTRD-TRYPTOPHANA1YL90.76
DTRD-TRYPTOPHANA1XXZ0.76
DTRD-TRYPTOPHANA1XY40.76
DTRD-TRYPTOPHANA,D2Q3I0.76
DTRD-TRYPTOPHANA1QFB0.76
DTRD-TRYPTOPHANA1DFZ0.76
DTRD-TRYPTOPHANA1XY90.76
DTRD-TRYPTOPHANA1XY60.76
DTRD-TRYPTOPHANA2SOC0.76
DTRD-TRYPTOPHANA2JUE0.76
DTRD-TRYPTOPHANA1SOC0.76
DTRD-TRYPTOPHANA1YL80.76
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
DTRD-TRYPTOPHANA,B2Q330.76
DTRD-TRYPTOPHANA1DG00.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.76
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA		A2PE10.72
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.72
ISQISOQUINOLINEA1GDK0.72
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.74
3AP3-AMINOPYRIDINEA1AEF0.71
3ID3H-INDOLE-5,6-DIOLA1F9B0.72
3ID3H-INDOLE-5,6-DIOLA1OYO0.72
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.72
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.71
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE		A1IF90.7
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.77
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.75
4IN4-AMINO-L-TRYPTOPHANA1OXF0.75
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.92
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.92
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.92
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE		A,B,C,D,E,F1P440.71
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.7
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.75
3IL3-(INDOL-3-YL) LACTATEA2A7P0.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.78
TPLTRYPTOPHANOLA1EE70.81
SROSEROTONINA,B3BRN0.75
SROSEROTONINA2QEH0.75
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.8
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.8
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.8
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.8
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.8
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.7
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.72
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.72
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.72
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.72
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.72
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.72
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.72
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.72
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.72
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.72
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.82
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.76
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.76
LI23-FLUORO-5-MORPHOLIN-4-YL-N-[3-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
5-YL]BENZAMIDE		A1WBS0.72
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.71
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		1UW60.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.72
PHN1,10-PHENANTHROLINEA1LIH0.71
PHN1,10-PHENANTHROLINEA2LIG0.71
PHN1,10-PHENANTHROLINEA,B2FU70.71
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.79
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.71
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
6CW6-CHLORO-L-TRYPTOPHANB2GV20.72
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.72
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.72
EPJEPIBATIDINEA,B,C,D,E2BYQ0.7
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.78
IOPINDOLYLPROPIONIC ACIDA2OLI0.78
IOPINDOLYLPROPIONIC ACIDA,B2AY50.78
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.78
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE		A3HVC0.75
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.72
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.82
J074-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-
2-yl]amino}-N-ethylpiperidine-1-
carboxamide		A2P330.7
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.75