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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02371287

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
A,B2I0E0.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.76
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.8
UP3A3D8N0.7
2MI2-METHYL-1H-INDOLEA2PIO0.77
ASEN-ACETYL SEROTONINA1NAS0.71
4HT4-HYDROXYTRYPTOPHANH,L1RU90.73
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.73
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.73
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.73
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3I0.76
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3H0.76
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.77
MMPN-METHYLMESOPORPHYRINA,B,C,D3FCT0.72
MMPN-METHYLMESOPORPHYRINL1N7M0.72
MMPN-METHYLMESOPORPHYRINB,H1NGW0.72
MMPN-METHYLMESOPORPHYRINA1C1H0.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.72
C08difluoro(5-{2-[(5-octyl-1H-pyrrol-
2-yl-kappaN)methylidene]-2H-pyrrol-
5-yl-kappaN}pentanoato)boron
A,B2ZK60.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.7
MRX5-bromo-3-(pyrrolidin-1-ylsulfonyl)-
1H-indole-2-carboxamide
A2RF20.74
0AF7-hydroxy-L-tryptophanL1MAE0.71
0AF7-hydroxy-L-tryptophanL1MAF0.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.74
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL
A1T840.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.72
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.73
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.77
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.75
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.74
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.7
CTE7-CHLOROTRYPTOPHANA2AR80.76
CTE7-CHLOROTRYPTOPHANA2V7L0.76
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.72
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.74
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN
A,B2OW00.72
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.75
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL
A2QHW0.72
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.84
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2DV20.72
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2FXJ0.72
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.81
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,B1MMP0.74
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID
A1CAQ0.72
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID
A1CIZ0.72
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.78
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
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.81
4IN4-AMINO-L-TRYPTOPHANA1OXF0.81
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
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID
A1M4A0.74
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.76
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.76
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.8
SROSEROTONINA,B3BRN0.7
SROSEROTONINA2QEH0.7
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.73
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.77
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.77
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.81
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.81
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.81
PP9PROTOPORPHYRIN IXA1Z530.74
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.74
PP9PROTOPORPHYRIN IXA,B2QD50.74
PP9PROTOPORPHYRIN IXA1HRS0.74
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.74
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.74
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.74
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.7
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWI0.74
BTR6-BROMO-TRYPTOPHANA1WCT0.87
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE
A1O3L0.81
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.85
IOPINDOLYLPROPIONIC ACIDA2OLI0.85
IOPINDOLYLPROPIONIC ACIDA,B2AY50.85
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE
A1NBP0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.72
TRO2-HYDROXY-TRYPTOPHANA1KB00.78
TRO2-HYDROXY-TRYPTOPHANA1G3P0.78
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.86
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.86
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.75
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.75
FTRFLUOROTRYPTOPHANEA2JT80.81
FTRFLUOROTRYPTOPHANEA,B1NF00.81
FTRFLUOROTRYPTOPHANEA2JTZ0.81
FTRFLUOROTRYPTOPHANEA,B1I450.81
FTRFLUOROTRYPTOPHANEA,B2ZNX0.81
FTRFLUOROTRYPTOPHANEA,B1NEY0.81
FTRFLUOROTRYPTOPHANEA,B5FWG0.81
4FW4-FLUOROTRYPTOPHANEA1RM90.81
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.84
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.73
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.75
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.75
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.75
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
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE
A,B1Q3W0.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.82
6CW6-CHLORO-L-TRYPTOPHANB2GV20.78
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.78
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.78
DTE7-CL-D-TRYPTOPHANA2V7M0.76
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.76
TPLTRYPTOPHANOLA1EE70.76
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.73
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.73
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.73
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.76
LTNL-TRYPTOPHANAMIDEA1MAU0.75
LTNL-TRYPTOPHANAMIDEA,B2QUI0.75
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
DTRD-TRYPTOPHANA,B,C,D2R3C0.83
DTRD-TRYPTOPHANA1XY80.83
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.83
DTRD-TRYPTOPHANA2V7K0.83
DTRD-TRYPTOPHANA,D1CZQ0.83
DTRD-TRYPTOPHANA1DFY0.83
DTRD-TRYPTOPHANA1XY50.83
DTRD-TRYPTOPHANA1NXN0.83
DTRD-TRYPTOPHANA1TKF0.83
DTRD-TRYPTOPHANA1YL90.83
DTRD-TRYPTOPHANA1XXZ0.83
DTRD-TRYPTOPHANA1XY40.83
DTRD-TRYPTOPHANA,D2Q3I0.83
DTRD-TRYPTOPHANA1QFB0.83
DTRD-TRYPTOPHANA1DFZ0.83
DTRD-TRYPTOPHANA1XY90.83
DTRD-TRYPTOPHANA1XY60.83
DTRD-TRYPTOPHANA2SOC0.83
DTRD-TRYPTOPHANA2JUE0.83
DTRD-TRYPTOPHANA1SOC0.83
DTRD-TRYPTOPHANA1YL80.83
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.83
DTRD-TRYPTOPHANA,B2Q330.83
DTRD-TRYPTOPHANA1DG00.83
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.83
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.71
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.73
INDINDOLEA1L4H0.71
INDINDOLEA,B,G1O7N0.71
INDINDOLEA185L0.71
INDINDOLEA,B1EG90.71
INDINDOLEA,B1UUV0.71
INDINDOLEA,C,E2B240.71
INDINDOLEA,B,C,D,E,F2P850.71