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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02814548

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTR6-BROMO-TRYPTOPHANA1WCT0.72
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.87
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.78
3IL3-(INDOL-3-YL) LACTATEA2A7P0.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.73
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.75
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.72
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.73
TPLTRYPTOPHANOLA1EE70.75
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.75
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		C2OXM0.8
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		B,C2OYT0.8
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.79
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.79
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
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
LL13-pyridin-4-yl-1H-indazoleA3DNE0.7
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
NQIN~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-
HYDROXY-4-OXOBUTANOYL]AMINO}PENT-
4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE		A2NQI0.71
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.76
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.74
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
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW00.72
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2ERP0.72
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW10.72
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B,D,E2E3X0.72
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B1PWU0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.76
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.76
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.71
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A,B2VD50.73
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UVR0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.75
2MI2-METHYL-1H-INDOLEA2PIO0.75
N5P1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-
HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-
BETA-D-ERYTHRO-PENTOFURANOSYL}-
5-NITRO-1H-INDOLE		A,P,T2OZM0.75
N5P1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-
HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-
BETA-D-ERYTHRO-PENTOFURANOSYL}-
5-NITRO-1H-INDOLE		A,C,E,F,I,J,K2OYQ0.75
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID		A,B1MMP0.75
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.76
SBS(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE		A1IF80.72
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.79
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		A1MMR0.74
4FW4-FLUOROTRYPTOPHANEA1RM90.75
FTRFLUOROTRYPTOPHANEA2JT80.75
FTRFLUOROTRYPTOPHANEA,B1NF00.75
FTRFLUOROTRYPTOPHANEA2JTZ0.75
FTRFLUOROTRYPTOPHANEA,B1I450.75
FTRFLUOROTRYPTOPHANEA,B2ZNX0.75
FTRFLUOROTRYPTOPHANEA,B1NEY0.75
FTRFLUOROTRYPTOPHANEA,B5FWG0.75
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.76
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.74
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.71
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A2Q570.75
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXE0.75
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXD0.75
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE		A,B1AOE0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.76
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.76
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.76
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.76
MQU7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-
7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-
DIAMINE		A,B1M7A0.72
FRNA2CV30.72
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
VAW(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-
3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-
2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-
2H-pyran-5-carboxylate		A,B2VAQ0.71
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.73
CRF[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETALDEHYDE		A1CV70.73
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.74
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.74
SBR(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE		A1IF70.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.74
4IN4-AMINO-L-TRYPTOPHANA1OXF0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.76
LTNL-TRYPTOPHANAMIDEA1MAU0.77
LTNL-TRYPTOPHANAMIDEA,B2QUI0.77
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.71
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.71
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.72
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.75
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.75
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.78
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.78
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.8
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.77
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.7
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.72
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.75
5ZA(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-
3-(2-HYDROXYETHYL)-3,5-DIHYDRO-
4H-IMIDAZOL-4-ONE		A1OXF0.73
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE		A,B1R0E0.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.7
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.79
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.79
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.79
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.79
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.74
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.74
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.74
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.77
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.77
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		A1MMQ0.74
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.73
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
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
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.76
INDINDOLEA1L4H0.79
INDINDOLEA,B,G1O7N0.79
INDINDOLEA185L0.79
INDINDOLEA,B1EG90.79
INDINDOLEA,B1UUV0.79
INDINDOLEA,C,E2B240.79
INDINDOLEA,B,C,D,E,F2P850.79
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
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		B2J2I0.78
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		A1UU30.78
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE		A,B2G1O0.7
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.76
N5I1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE		A,C,E,F,I,J,K2OYQ0.75
6CW6-CHLORO-L-TRYPTOPHANB2GV20.72
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.72
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.72
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.74
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.78
IOPINDOLYLPROPIONIC ACIDA2OLI0.78
IOPINDOLYLPROPIONIC ACIDA,B2AY50.78
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.72
WBT3-FLUORO-5-MORPHOLIN-4-YL-N-[1-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
6-YL]BENZAMIDE		A1WBT0.73
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.7
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.72