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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02371702

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NZA5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID
A,B2Q5S0.7
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
BTR6-BROMO-TRYPTOPHANA1WCT0.77
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5Q0.71
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1EXV0.71
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5S0.71
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L7X0.71
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5R0.71
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.78
CTE7-CHLOROTRYPTOPHANA2AR80.9
CTE7-CHLOROTRYPTOPHANA2V7L0.9
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.78
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.78
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.77
TPLTRYPTOPHANOLA1EE70.75
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.73
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.73
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione
A3CR00.77
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.8
4IN4-AMINO-L-TRYPTOPHANA1OXF0.8
LCF[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-
7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-
5-YL]ACETIC ACID
A1ZYX0.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2I0T0.72
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
A,B,C,D,K,L,
M,N
2J570.72
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2OK40.72
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2IUR0.72
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2AGW0.72
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
A,B,H,L,M2J560.72
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2IUV0.72
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2OK60.72
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.7
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,B1MMP0.73
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.82
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.82
0AF7-hydroxy-L-tryptophanL1MAE0.76
0AF7-hydroxy-L-tryptophanL1MAF0.76
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid
A3A1L0.82
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,D,F,G,H,
J,K,L,N,O,P
2GC40.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,H,L,M2J550.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2Q7Q0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,G1JMZ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,E,G,I2H470.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MG20.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,D,F,H,J,L,
N,P
2GC70.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2OJY0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2IUP0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGX0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,D,H2HJ40.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2HKR0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGZ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,E,F2H3X0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,D,H2IUQ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,G1JMX0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,D,H2HJB0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,C,H,L2MTA0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,D,H2OIZ0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,L,M3C750.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AH00.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,C1JJU0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,L,M1MDA0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2HKM0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGY0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
L,M2BBK0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
L2MAD0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGL0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,E2IAA0.71
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AH10.71
6CW6-CHLORO-L-TRYPTOPHANB2GV20.87
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.87
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.87
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.73
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.77
4HT4-HYDROXYTRYPTOPHANH,L1RU90.77
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.77
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.77
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.77
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.7
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.82
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN
A,B2OW00.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID
A1M4A0.81
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.74
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.81
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.7
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
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.87
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.75
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
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.72
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.72
3IL3-(INDOL-3-YL) LACTATEA2A7P0.82
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.84
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.84
INDINDOLEA1L4H0.7
INDINDOLEA,B,G1O7N0.7
INDINDOLEA185L0.7
INDINDOLEA,B1EG90.7
INDINDOLEA,B1UUV0.7
INDINDOLEA,C,E2B240.7
INDINDOLEA,B,C,D,E,F2P850.7
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.71
ME43-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-
1H-INDOLE-6-CARBOXAMIDE
A2P940.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.72
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.76
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T
2VUM0.76
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.8
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.78
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.78
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.78
DTE7-CL-D-TRYPTOPHANA2V7M0.9
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.84
IOPINDOLYLPROPIONIC ACIDA2OLI0.84
IOPINDOLYLPROPIONIC ACIDA,B2AY50.84
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID
A,B1E510.75
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID
A1OHL0.75
ASEN-ACETYL SEROTONINA1NAS0.72
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.77
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.77
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.76
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.87
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.76
SROSEROTONINA,B3BRN0.72
SROSEROTONINA2QEH0.72
FTRFLUOROTRYPTOPHANEA2JT80.81
FTRFLUOROTRYPTOPHANEA,B1NF00.81
FTRFLUOROTRYPTOPHANEA2JTZ0.81
FTRFLUOROTRYPTOPHANEA,B1I450.81
FTRFLUOROTRYPTOPHANEA,B2ZNX0.81
FTRFLUOROTRYPTOPHANEA,B1NEY0.81
FTRFLUOROTRYPTOPHANEA,B5FWG0.81
4FW4-FLUOROTRYPTOPHANEA1RM90.81
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.88
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.88
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.88
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.88
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.74
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.77
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.77
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.77
1001-(5-CHLOROINDOL-3-YL)-3-HYDROXY-
3-(2H-TETRAZOL-5-YL)-PROPENONE
A,B,C1QS40.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.7
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2DV20.71
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2FXJ0.71
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
B2TYS0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.75
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL
A2QHW0.76
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate
A2VAG0.75
LTNL-TRYPTOPHANAMIDEA1MAU0.74
LTNL-TRYPTOPHANAMIDEA,B2QUI0.74
TRO2-HYDROXY-TRYPTOPHANA1KB00.73
TRO2-HYDROXY-TRYPTOPHANA1G3P0.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.78
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.78
DTRD-TRYPTOPHANA,B,C,D2R3C0.82
DTRD-TRYPTOPHANA1XY80.82
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.82
DTRD-TRYPTOPHANA2V7K0.82
DTRD-TRYPTOPHANA,D1CZQ0.82
DTRD-TRYPTOPHANA1DFY0.82
DTRD-TRYPTOPHANA1XY50.82
DTRD-TRYPTOPHANA1NXN0.82
DTRD-TRYPTOPHANA1TKF0.82
DTRD-TRYPTOPHANA1YL90.82
DTRD-TRYPTOPHANA1XXZ0.82
DTRD-TRYPTOPHANA1XY40.82
DTRD-TRYPTOPHANA,D2Q3I0.82
DTRD-TRYPTOPHANA1QFB0.82
DTRD-TRYPTOPHANA1DFZ0.82
DTRD-TRYPTOPHANA1XY90.82
DTRD-TRYPTOPHANA1XY60.82
DTRD-TRYPTOPHANA2SOC0.82
DTRD-TRYPTOPHANA2JUE0.82
DTRD-TRYPTOPHANA1SOC0.82
DTRD-TRYPTOPHANA1YL80.82
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.82
DTRD-TRYPTOPHANA,B2Q330.82
DTRD-TRYPTOPHANA1DG00.82
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.82
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.75
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.71
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.79
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.83