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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02223842

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2I0T0.84
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
2J570.84
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2OK40.84
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2IUR0.84
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2AGW0.84
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
A,B,H,L,M2J560.84
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2IUV0.84
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
D,H2OK60.84
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.78
DTRD-TRYPTOPHANA,B,C,D2R3C0.78
DTRD-TRYPTOPHANA1XY80.78
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.78
DTRD-TRYPTOPHANA2V7K0.78
DTRD-TRYPTOPHANA,D1CZQ0.78
DTRD-TRYPTOPHANA1DFY0.78
DTRD-TRYPTOPHANA1XY50.78
DTRD-TRYPTOPHANA1NXN0.78
DTRD-TRYPTOPHANA1TKF0.78
DTRD-TRYPTOPHANA1YL90.78
DTRD-TRYPTOPHANA1XXZ0.78
DTRD-TRYPTOPHANA1XY40.78
DTRD-TRYPTOPHANA,D2Q3I0.78
DTRD-TRYPTOPHANA1QFB0.78
DTRD-TRYPTOPHANA1DFZ0.78
DTRD-TRYPTOPHANA1XY90.78
DTRD-TRYPTOPHANA1XY60.78
DTRD-TRYPTOPHANA2SOC0.78
DTRD-TRYPTOPHANA2JUE0.78
DTRD-TRYPTOPHANA1SOC0.78
DTRD-TRYPTOPHANA1YL80.78
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.78
DTRD-TRYPTOPHANA,B2Q330.78
DTRD-TRYPTOPHANA1DG00.78
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.78
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.75
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.74
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.77
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.78
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
2GC40.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,H,L,M2J550.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2Q7Q0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,G1JMZ0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,E,G,I2H470.83
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
1MG20.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,D,F,H,J,L,
N,P
2GC70.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2OJY0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2IUP0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGX0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,D,H2HJ40.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2HKR0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGZ0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,E,F2H3X0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,D,H2IUQ0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,G1JMX0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,D,H2HJB0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,C,H,L2MTA0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,D,H2OIZ0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,L,M3C750.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AH00.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,C1JJU0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
A,B,L,M1MDA0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2HKM0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGY0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
L,M2BBK0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
L2MAD0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AGL0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
B,C,E2IAA0.83
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID
D,H2AH10.83
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.73
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1O0D0.73
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1NZQ0.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.73
CTE7-CHLOROTRYPTOPHANA2AR80.71
CTE7-CHLOROTRYPTOPHANA2V7L0.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.76
4IN4-AMINO-L-TRYPTOPHANA1OXF0.76
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.74
BTR6-BROMO-TRYPTOPHANA1WCT0.73
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.74
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.76
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.74
TRNNZ2-TRYPTOPHANA,B,C1AM70.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.73
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.77
6CW6-CHLORO-L-TRYPTOPHANB2GV20.73
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.73
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.73
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.77
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.77
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.75
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.75
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.75
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.75
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.71
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T
2VUM0.71
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.71
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.72
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.72
FTRFLUOROTRYPTOPHANEA2JT80.76
FTRFLUOROTRYPTOPHANEA,B1NF00.76
FTRFLUOROTRYPTOPHANEA2JTZ0.76
FTRFLUOROTRYPTOPHANEA,B1I450.76
FTRFLUOROTRYPTOPHANEA,B2ZNX0.76
FTRFLUOROTRYPTOPHANEA,B1NEY0.76
FTRFLUOROTRYPTOPHANEA,B5FWG0.76
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.79
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.79
4FW4-FLUOROTRYPTOPHANEA1RM90.76
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID
A1M4A0.73
32T(S)-2-AMINO-3-(4H-THIENO[3,2-B]-
PYRROL-6-YL)-PROPIONIC ACID
A1RMO0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.72
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.72
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID
A,B1E510.78
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID
A1OHL0.78
3IL3-(INDOL-3-YL) LACTATEA2A7P0.75
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.77
DTE7-CL-D-TRYPTOPHANA2V7M0.71
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.75
NTMQUINOLINIC ACIDA3C2O0.72
NTMQUINOLINIC ACIDA,B1QAP0.72
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.72
NTMQUINOLINIC ACIDA,B,C2B7N0.72
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.74
4HT4-HYDROXYTRYPTOPHANH,L1RU90.71
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.74
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.79
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.79
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.79
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.79
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.78
IOPINDOLYLPROPIONIC ACIDA2OLI0.78
IOPINDOLYLPROPIONIC ACIDA,B2AY50.78
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.7
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.74
PYCPYRROLE-2-CARBOXYLATEA1W620.82
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.82
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.82
PYCPYRROLE-2-CARBOXYLATEA,B1W610.82
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.82