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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01074241

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.7
DTE7-CL-D-TRYPTOPHANA2V7M0.73
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.81
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.79
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.79
4HT4-HYDROXYTRYPTOPHANH,L1RU90.74
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.74
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.8
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.8
IOPINDOLYLPROPIONIC ACIDA2OLI0.8
IOPINDOLYLPROPIONIC ACIDA,B2AY50.8
4FW4-FLUOROTRYPTOPHANEA1RM90.78
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
FTRFLUOROTRYPTOPHANEA2JT80.78
FTRFLUOROTRYPTOPHANEA,B1NF00.78
FTRFLUOROTRYPTOPHANEA2JTZ0.78
FTRFLUOROTRYPTOPHANEA,B1I450.78
FTRFLUOROTRYPTOPHANEA,B2ZNX0.78
FTRFLUOROTRYPTOPHANEA,B1NEY0.78
FTRFLUOROTRYPTOPHANEA,B5FWG0.78
TPLTRYPTOPHANOLA1EE70.84
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.83
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.83
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.83
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.71
TRO2-HYDROXY-TRYPTOPHANA1KB00.71
TRO2-HYDROXY-TRYPTOPHANA1G3P0.71
T985-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-
2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-
1H-PYRROLE-2-CARBONITRILE
A,B1ZUC0.71
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.7
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.71
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.74
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.79
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.77
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.77
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.71
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.76
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.76
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.76
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.75
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.78
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.72
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T
2VUM0.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.73
SROSEROTONINA,B3BRN0.8
SROSEROTONINA2QEH0.8
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.73
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.73
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDS0.71
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDR0.71
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2JDV0.71
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
E2UZU0.71
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.8
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.8
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.8
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.7
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.75
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.75
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.77
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.7
2MI2-METHYL-1H-INDOLEA2PIO0.74
BTR6-BROMO-TRYPTOPHANA1WCT0.75
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.88
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.88
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.73
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID
A1M4A0.76
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.73
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.73
3IL3-(INDOL-3-YL) LACTATEA2A7P0.78
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
CTE7-CHLOROTRYPTOPHANA2AR80.73
CTE7-CHLOROTRYPTOPHANA2V7L0.73
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.83
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.83
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.83
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.83
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE
A1UU90.72
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.71
ASEN-ACETYL SEROTONINA1NAS0.77
LL13-pyridin-4-yl-1H-indazoleA3DNE0.76
6CW6-CHLORO-L-TRYPTOPHANB2GV20.75
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.75
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.75
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
LTNL-TRYPTOPHANAMIDEA1MAU0.78
LTNL-TRYPTOPHANAMIDEA,B2QUI0.78
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE
A1NBP0.71
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.73
DTRD-TRYPTOPHANA,B,C,D2R3C0.79
DTRD-TRYPTOPHANA1XY80.79
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.79
DTRD-TRYPTOPHANA2V7K0.79
DTRD-TRYPTOPHANA,D1CZQ0.79
DTRD-TRYPTOPHANA1DFY0.79
DTRD-TRYPTOPHANA1XY50.79
DTRD-TRYPTOPHANA1NXN0.79
DTRD-TRYPTOPHANA1TKF0.79
DTRD-TRYPTOPHANA1YL90.79
DTRD-TRYPTOPHANA1XXZ0.79
DTRD-TRYPTOPHANA1XY40.79
DTRD-TRYPTOPHANA,D2Q3I0.79
DTRD-TRYPTOPHANA1QFB0.79
DTRD-TRYPTOPHANA1DFZ0.79
DTRD-TRYPTOPHANA1XY90.79
DTRD-TRYPTOPHANA1XY60.79
DTRD-TRYPTOPHANA2SOC0.79
DTRD-TRYPTOPHANA2JUE0.79
DTRD-TRYPTOPHANA1SOC0.79
DTRD-TRYPTOPHANA1YL80.79
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.79
DTRD-TRYPTOPHANA,B2Q330.79
DTRD-TRYPTOPHANA1DG00.79
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.79
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.75
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.7
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
C2OXM0.7
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
B,C2OYT0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.75
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.75
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.75
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL
A2QHW0.81
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.71
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.71
CRF[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETALDEHYDE
A1CV70.7
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.81
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.81
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.81
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.81
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.8
0AF7-hydroxy-L-tryptophanL1MAE0.7
0AF7-hydroxy-L-tryptophanL1MAF0.7
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX90.72
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX80.72
3ID3H-INDOLE-5,6-DIOLA1F9B0.75
3ID3H-INDOLE-5,6-DIOLA1OYO0.75
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.74
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.74
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.8
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.75
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN
A,B2OW00.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.77
4IN4-AMINO-L-TRYPTOPHANA1OXF0.77
INDINDOLEA1L4H0.81
INDINDOLEA,B,G1O7N0.81
INDINDOLEA185L0.81
INDINDOLEA,B1EG90.81
INDINDOLEA,B1UUV0.81
INDINDOLEA,C,E2B240.81
INDINDOLEA,B,C,D,E,F2P850.81
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.82
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.82
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.82
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.82
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.82
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.74
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.73
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.73
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.78
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.78
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2DV20.79
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2FXJ0.79
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.78
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.71