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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02114142

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B2DW00.7
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B2ERP0.7
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B2DW10.7
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B,D,E2E3X0.7
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B1PWU0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.82
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.82
IOPINDOLYLPROPIONIC ACIDA2OLI0.82
IOPINDOLYLPROPIONIC ACIDA,B2AY50.82
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.7
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.72
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.72
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,B2VAQ0.7
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.76
LTNL-TRYPTOPHANAMIDEA,B2QUI0.76
DTE7-CL-D-TRYPTOPHANA2V7M0.74
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.84
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.84
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.84
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.84
4HT4-HYDROXYTRYPTOPHANH,L1RU90.75
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.75
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.75
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.75
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.76
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.76
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.72
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2DV20.84
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2FXJ0.84
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.79
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.79
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.79
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.79
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.73
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.71
2MI2-METHYL-1H-INDOLEA2PIO0.73
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.79
4IN4-AMINO-L-TRYPTOPHANA1OXF0.79
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.7
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.7
BTR6-BROMO-TRYPTOPHANA1WCT0.84
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.82
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.82
CRF[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETALDEHYDE
A1CV70.71
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID
A1CAQ0.7
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID
A1CIZ0.7
0AF7-hydroxy-L-tryptophanL1MAE0.71
0AF7-hydroxy-L-tryptophanL1MAF0.71
6CW6-CHLORO-L-TRYPTOPHANB2GV20.76
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.76
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.76
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.81
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.81
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.81
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.73
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL
A2QHW0.86
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.74
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.83
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.83
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.83
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.78
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.7
3IL3-(INDOL-3-YL) LACTATEA2A7P0.83
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.84
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.84
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.84
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.84
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.84
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.75
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.74
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.76
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.76
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.74
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T
2VUM0.74
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.74
SROSEROTONINA,B3BRN0.82
SROSEROTONINA2QEH0.82
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.72
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.73
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.73
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL
A1T840.76
FTRFLUOROTRYPTOPHANEA2JT80.79
FTRFLUOROTRYPTOPHANEA,B1NF00.79
FTRFLUOROTRYPTOPHANEA2JTZ0.79
FTRFLUOROTRYPTOPHANEA,B1I450.79
FTRFLUOROTRYPTOPHANEA,B2ZNX0.79
FTRFLUOROTRYPTOPHANEA,B1NEY0.79
FTRFLUOROTRYPTOPHANEA,B5FWG0.79
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.72
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.81
4FW4-FLUOROTRYPTOPHANEA1RM90.79
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.92
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.92
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.71
TRO2-HYDROXY-TRYPTOPHANA1KB00.72
TRO2-HYDROXY-TRYPTOPHANA1G3P0.72
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,B1MMP0.71
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL
A,B,C,D,E,F2P6G0.72
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.77
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.79
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.79
CTE7-CHLOROTRYPTOPHANA2AR80.74
CTE7-CHLOROTRYPTOPHANA2V7L0.74
3ID3H-INDOLE-5,6-DIOLA1F9B0.77
3ID3H-INDOLE-5,6-DIOLA1OYO0.77
ASEN-ACETYL SEROTONINA1NAS0.78
INDINDOLEA1L4H0.8
INDINDOLEA,B,G1O7N0.8
INDINDOLEA185L0.8
INDINDOLEA,B1EG90.8
INDINDOLEA,B1UUV0.8
INDINDOLEA,C,E2B240.8
INDINDOLEA,B,C,D,E,F2P850.8
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.83
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.75
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.74
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.73
DTRD-TRYPTOPHANA,B,C,D2R3C0.8
DTRD-TRYPTOPHANA1XY80.8
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.8
DTRD-TRYPTOPHANA2V7K0.8
DTRD-TRYPTOPHANA,D1CZQ0.8
DTRD-TRYPTOPHANA1DFY0.8
DTRD-TRYPTOPHANA1XY50.8
DTRD-TRYPTOPHANA1NXN0.8
DTRD-TRYPTOPHANA1TKF0.8
DTRD-TRYPTOPHANA1YL90.8
DTRD-TRYPTOPHANA1XXZ0.8
DTRD-TRYPTOPHANA1XY40.8
DTRD-TRYPTOPHANA,D2Q3I0.8
DTRD-TRYPTOPHANA1QFB0.8
DTRD-TRYPTOPHANA1DFZ0.8
DTRD-TRYPTOPHANA1XY90.8
DTRD-TRYPTOPHANA1XY60.8
DTRD-TRYPTOPHANA2SOC0.8
DTRD-TRYPTOPHANA2JUE0.8
DTRD-TRYPTOPHANA1SOC0.8
DTRD-TRYPTOPHANA1YL80.8
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.8
DTRD-TRYPTOPHANA,B2Q330.8
DTRD-TRYPTOPHANA1DG00.8
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.8
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.74
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.74
TPLTRYPTOPHANOLA1EE70.88
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
A2Q570.7
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
A1OXE0.7
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
A1OXD0.7
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.73
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
B2TYS0.71
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN
A,B2OW00.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.76
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.83
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3I0.73
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3H0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.81
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.81
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.81
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.81
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.71
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
C2OXM0.72
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
B,C2OYT0.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID
A1M4A0.78