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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03067408

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
238A2PRH0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.81
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.75
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.71
2MI2-METHYL-1H-INDOLEA2PIO0.7
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.72
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.73
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.75
DTE7-CL-D-TRYPTOPHANA2V7M0.75
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.79
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.79
4HT4-HYDROXYTRYPTOPHANH,L1RU90.74
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.74
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CAQ0.73
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CIZ0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.7
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.7
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.7
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.7
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.7
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.74
3IL3-(INDOL-3-YL) LACTATEA2A7P0.79
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.84
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.84
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.84
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.84
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.71
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.72
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.75
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.74
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.74
1CPCOPROPORPHYRIN IA1R3S0.73
1CPCOPROPORPHYRIN IA1R3V0.73
1CPCOPROPORPHYRIN IA1R3Q0.73
H02N-METHYL PROTOPORPHYRIN IX 2,4-
DISULFONIC ACID		A2Q3J0.71
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.76
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.71
BTR6-BROMO-TRYPTOPHANA1WCT0.74
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.71
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
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione		A3CR00.73
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.77
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.71
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.71
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.79
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.77
MMPN-METHYLMESOPORPHYRINA,B,C,D3FCT0.73
MMPN-METHYLMESOPORPHYRINL1N7M0.73
MMPN-METHYLMESOPORPHYRINB,H1NGW0.73
MMPN-METHYLMESOPORPHYRINA1C1H0.73
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.76
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE		A1O3L0.73
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE		A,B1Q3W0.72
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.81
IOPINDOLYLPROPIONIC ACIDA2OLI0.81
IOPINDOLYLPROPIONIC ACIDA,B2AY50.81
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID		A1DB50.74
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.73
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.74
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.73
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.7
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.84
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.7
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.7
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.73
FTRFLUOROTRYPTOPHANEA2JT80.79
FTRFLUOROTRYPTOPHANEA,B1NF00.79
FTRFLUOROTRYPTOPHANEA2JTZ0.79
FTRFLUOROTRYPTOPHANEA,B1I450.79
FTRFLUOROTRYPTOPHANEA,B2ZNX0.79
FTRFLUOROTRYPTOPHANEA,B1NEY0.79
FTRFLUOROTRYPTOPHANEA,B5FWG0.79
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.71
4FW4-FLUOROTRYPTOPHANEA1RM90.79
TRO2-HYDROXY-TRYPTOPHANA1KB00.77
TRO2-HYDROXY-TRYPTOPHANA1G3P0.77
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.74
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid		A3A1L0.72
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A1X8B0.76
CTE7-CHLOROTRYPTOPHANA2AR80.75
CTE7-CHLOROTRYPTOPHANA2V7L0.75
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.83
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.71
0AF7-hydroxy-L-tryptophanL1MAE0.73
0AF7-hydroxy-L-tryptophanL1MAF0.73
IMNINDOMETHACINA2BXM0.71
IMNINDOMETHACINA3FO70.71
IMNINDOMETHACINA,B,C,D1Z9H0.71
IMNINDOMETHACINA2BXQ0.71
IMNINDOMETHACINA,B,C,D4COX0.71
IMNINDOMETHACINA2ALT0.71
IMNINDOMETHACINA2OTH0.71
IMNINDOMETHACINA,B2DM60.71
IMNINDOMETHACINA1S2A0.71
IMNINDOMETHACINA2ZB80.71
IMNINDOMETHACINA3HWZ0.71
IMNINDOMETHACINA2BXK0.71
PP9PROTOPORPHYRIN IXA1Z530.75
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.75
PP9PROTOPORPHYRIN IXA,B2QD50.75
PP9PROTOPORPHYRIN IXA1HRS0.75
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.75
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.85
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.79
UP3A3D8N0.76
4PPC,L1XKA0.7
4PPA,B,C,D1XKB0.7
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.76
6CW6-CHLORO-L-TRYPTOPHANB2GV20.74
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.74
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.74
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.77
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.81
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.7
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.7
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.7
DTRD-TRYPTOPHANA,B,C,D2R3C0.79
DTRD-TRYPTOPHANA1XY80.79
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.79
DTRD-TRYPTOPHANA2V7K0.79
DTRD-TRYPTOPHANA,D1CZQ0.79
DTRD-TRYPTOPHANA1DFY0.79
DTRD-TRYPTOPHANA1XY50.79
DTRD-TRYPTOPHANA1NXN0.79
DTRD-TRYPTOPHANA1TKF0.79
DTRD-TRYPTOPHANA1YL90.79
DTRD-TRYPTOPHANA1XXZ0.79
DTRD-TRYPTOPHANA1XY40.79
DTRD-TRYPTOPHANA,D2Q3I0.79
DTRD-TRYPTOPHANA1QFB0.79
DTRD-TRYPTOPHANA1DFZ0.79
DTRD-TRYPTOPHANA1XY90.79
DTRD-TRYPTOPHANA1XY60.79
DTRD-TRYPTOPHANA2SOC0.79
DTRD-TRYPTOPHANA2JUE0.79
DTRD-TRYPTOPHANA1SOC0.79
DTRD-TRYPTOPHANA1YL80.79
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.79
DTRD-TRYPTOPHANA,B2Q330.79
DTRD-TRYPTOPHANA1DG00.79
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.79
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.73
LCF[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-
7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-
5-YL]ACETIC ACID		A1ZYX0.7
2FH2-PHENYLHEMEA,B1S130.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.75
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.75
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.75
BRFA1UUO0.76
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.77
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.72
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.8
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.76
CP3COPROPORPHYRIN IIIA1R3T0.73
CP3COPROPORPHYRIN IIIA1R3W0.73
CP3COPROPORPHYRIN IIIA1R3Y0.73
CP3COPROPORPHYRIN IIIA2Q710.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.71
LBVA2O9B0.7
LBVA,B2OOL0.7
LBVA2O9C0.7
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.71
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.74
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.74
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.8
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.8
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.71
TPLTRYPTOPHANOLA1EE70.71
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.76
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.71
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.75
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.77
4IN4-AMINO-L-TRYPTOPHANA1OXF0.77
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.76
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.77
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.7
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.85
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.73
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.79
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A,B1E510.72
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A1OHL0.72