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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02856994

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTR6-BROMO-TRYPTOPHANA1WCT0.72
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.78
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.73
ZZA1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACIDA,B,D2VCW0.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.7
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.74
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.72
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.76
DAY1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-
1,11-dihydroxy-2,5,10a,12a-tetramethyl-
7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-
dodecahydrocyclopenta[5,6]naphtho[1,2-
f]indazol-1-yl]-2-hydroxyethanone		A3BQD0.77
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.77
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.74
4PPC,L1XKA0.76
4PPA,B,C,D1XKB0.76
A584-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-
1,4-DIHYDROINDENO[1,2-C]PYRAZOL-
3-YL)BENZOIC ACID		A2E9O0.7
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.75
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL		A,B2QAB0.75
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.72
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.72
SBC1-[4-(AMINOSULFONYL)PHENYL]-1,6-
DIHYDROPYRAZOLO[3,4-E]INDAZOLE-
3-CARBOXAMIDE		A,C,D2BKZ0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.7
LL13-pyridin-4-yl-1H-indazoleA3DNE0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.75
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.7
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.79
BMSA,B1DKF0.7
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.7
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.71
4FW4-FLUOROTRYPTOPHANEA1RM90.75
FTRFLUOROTRYPTOPHANEA2JT80.75
FTRFLUOROTRYPTOPHANEA,B1NF00.75
FTRFLUOROTRYPTOPHANEA2JTZ0.75
FTRFLUOROTRYPTOPHANEA,B1I450.75
FTRFLUOROTRYPTOPHANEA,B2ZNX0.75
FTRFLUOROTRYPTOPHANEA,B1NEY0.75
FTRFLUOROTRYPTOPHANEA,B5FWG0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.77
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.77
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.77
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.77
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
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.71
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.71
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.73
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.71
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.72
3063-[5-(PIPERIDIN-1-YLMETHYL)-1H-
INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-
2(1H)-ONE		A2HY00.71
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.71
RIE(3R,5R)-7-[1-(4-fluorophenyl)-4-
(1-methylethyl)-3-{methyl[(1R)-
1-phenylethyl]carbamoyl}-1H-pyrazol-
5-yl]-3,5-dihydroxyheptanoic acid		A,B,C,D2R4F0.74
DTRD-TRYPTOPHANA,B,C,D2R3C0.76
DTRD-TRYPTOPHANA1XY80.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.76
DTRD-TRYPTOPHANA2V7K0.76
DTRD-TRYPTOPHANA,D1CZQ0.76
DTRD-TRYPTOPHANA1DFY0.76
DTRD-TRYPTOPHANA1XY50.76
DTRD-TRYPTOPHANA1NXN0.76
DTRD-TRYPTOPHANA1TKF0.76
DTRD-TRYPTOPHANA1YL90.76
DTRD-TRYPTOPHANA1XXZ0.76
DTRD-TRYPTOPHANA1XY40.76
DTRD-TRYPTOPHANA,D2Q3I0.76
DTRD-TRYPTOPHANA1QFB0.76
DTRD-TRYPTOPHANA1DFZ0.76
DTRD-TRYPTOPHANA1XY90.76
DTRD-TRYPTOPHANA1XY60.76
DTRD-TRYPTOPHANA2SOC0.76
DTRD-TRYPTOPHANA2JUE0.76
DTRD-TRYPTOPHANA1SOC0.76
DTRD-TRYPTOPHANA1YL80.76
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
DTRD-TRYPTOPHANA,B2Q330.76
DTRD-TRYPTOPHANA1DG00.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.76
AIZ3-{6-[(2-CHLOROPHENYL)AMINO]-1H-
INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID		A2B1P0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.7
LTNL-TRYPTOPHANAMIDEA1MAU0.7
LTNL-TRYPTOPHANAMIDEA,B2QUI0.7
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.71
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.73
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.78
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.78
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.75
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.7
CCK[1-(6-{6-[(1-methylethyl)amino]-
1H-indazol-1-yl}pyrazin-2-yl)-1H-
pyrrol-3-yl]acetic acid		X3E3B0.74
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.73
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.7
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CAQ0.71
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CIZ0.71
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.77
IOPINDOLYLPROPIONIC ACIDA2OLI0.77
IOPINDOLYLPROPIONIC ACIDA,B2AY50.77
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.71
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide		A3DBC0.73
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.77
4IN4-AMINO-L-TRYPTOPHANA1OXF0.77
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.72
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.75
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.75
6CW6-CHLORO-L-TRYPTOPHANB2GV20.72
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.72
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.72
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.75
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.71
3IL3-(INDOL-3-YL) LACTATEA2A7P0.74