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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03040457

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE		A,B1SHL0.72
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.73
3IL3-(INDOL-3-YL) LACTATEA2A7P0.76
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.78
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.78
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.78
MMPN-METHYLMESOPORPHYRINA,B,C,D3FCT0.7
MMPN-METHYLMESOPORPHYRINL1N7M0.7
MMPN-METHYLMESOPORPHYRINB,H1NGW0.7
MMPN-METHYLMESOPORPHYRINA1C1H0.7
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.91
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.72
4HT4-HYDROXYTRYPTOPHANH,L1RU90.74
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.74
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.74
TPLTRYPTOPHANOLA1EE70.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.8
IOPINDOLYLPROPIONIC ACIDA2OLI0.8
IOPINDOLYLPROPIONIC ACIDA,B2AY50.8
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.72
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.7
BTR6-BROMO-TRYPTOPHANA1WCT0.86
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.72
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.73
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.71
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.71
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.77
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.77
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D2Q1L0.71
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D3CD70.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW00.72
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2ERP0.72
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW10.72
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B,D,E2E3X0.72
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B1PWU0.72
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE		A,B1XOI0.7
P918-bromo-4-(2-chlorophenyl)-N-(2-
hydroxyethyl)-6-methyl-1,3-dioxo-
1,2,3,6-tetrahydropyrrolo[3,4-e]indole-
7-carboxamide		A3CQE0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.72
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.72
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.75
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.75
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.75
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CAQ0.78
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CIZ0.78
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.77
FTRFLUOROTRYPTOPHANEA2JT80.84
FTRFLUOROTRYPTOPHANEA,B1NF00.84
FTRFLUOROTRYPTOPHANEA2JTZ0.84
FTRFLUOROTRYPTOPHANEA,B1I450.84
FTRFLUOROTRYPTOPHANEA,B2ZNX0.84
FTRFLUOROTRYPTOPHANEA,B1NEY0.84
FTRFLUOROTRYPTOPHANEA,B5FWG0.84
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.7
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.72
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,B1MMP0.75
CTE7-CHLOROTRYPTOPHANA2AR80.76
CTE7-CHLOROTRYPTOPHANA2V7L0.76
4FW4-FLUOROTRYPTOPHANEA1RM90.84
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.77
MRX5-bromo-3-(pyrrolidin-1-ylsulfonyl)-
1H-indole-2-carboxamide		A2RF20.73
PP9PROTOPORPHYRIN IXA1Z530.71
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.71
PP9PROTOPORPHYRIN IXA,B2QD50.71
PP9PROTOPORPHYRIN IXA1HRS0.71
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.71
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.71
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.71
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.8
LI23-FLUORO-5-MORPHOLIN-4-YL-N-[3-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
5-YL]BENZAMIDE		A1WBS0.71
5672-[[(2R)-1-[[(2S)-5-amino-1-[(4-
carbamimidoylphenyl)methylamino]-
1,5-dioxo-pentan-2-yl]amino]-3-
(1H-indol-3-yl)-1-oxo-propan-2-
yl]sulfamoyl]ethanoic acid		H,L2ZWL0.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.76
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.73
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.81
4IN4-AMINO-L-TRYPTOPHANA1OXF0.81
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE		A1O3L0.75
IPFN-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-
ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-
2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE		A,B2A1E0.73
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1H5U0.74
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1C500.74
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1LWO0.74
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.71
TRO2-HYDROXY-TRYPTOPHANA1KB00.77
TRO2-HYDROXY-TRYPTOPHANA1G3P0.77
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.84
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE		A2IOG0.7
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.77
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.77
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.76
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.73
0AF7-hydroxy-L-tryptophanL1MAE0.73
0AF7-hydroxy-L-tryptophanL1MAF0.73
HR1(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-
ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-
3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-
3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6C0.71
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.74
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.77
RX3N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-
L-TRYPTOPHAN		A2OC20.73
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2JF60.74
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2V910.74
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.72
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid		A3A1L0.7
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE		A,B,C,D,E,F1P440.71
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L5Q0.72
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1EXV0.72
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L5S0.72
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L7X0.72
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L5R0.72
FRNA2CV30.7
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.75
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.78
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.78
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.71
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.71
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.71
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE		A2HXQ0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.75
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.75
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.75
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.77
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.8
RDFN-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-
L-LEUCYL-L-TRYPTOPHAN		A1DMT0.72
RDFN-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-
L-LEUCYL-L-TRYPTOPHAN		A3DWB0.72
RDFN-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-
L-LEUCYL-L-TRYPTOPHAN		A3DBK0.72
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.75
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
6CW6-CHLORO-L-TRYPTOPHANB2GV20.78
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.78
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.78
DTE7-CL-D-TRYPTOPHANA2V7M0.76
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.72
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
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.73
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
LTNL-TRYPTOPHANAMIDEA1MAU0.73
LTNL-TRYPTOPHANAMIDEA,B2QUI0.73
TRNNZ2-TRYPTOPHANA,B,C1AM70.7
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.79
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2I0T0.71
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		2J570.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK40.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUR0.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2AGW0.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,H,L,M2J560.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUV0.71
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK60.71