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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024490

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.73
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.73
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE		A,B1SHL0.72
LTNL-TRYPTOPHANAMIDEA1MAU0.79
LTNL-TRYPTOPHANAMIDEA,B2QUI0.79
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.78
2AQQUINOLIN-2-AMINEA2OHL0.77
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.73
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.73
SROSEROTONINA,B3BRN0.71
SROSEROTONINA2QEH0.71
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.87
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.79
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.7
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.74
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.74
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.74
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.73
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.87
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.76
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.76
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.74
DTRD-TRYPTOPHANA,B,C,D2R3C0.73
DTRD-TRYPTOPHANA1XY80.73
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.73
DTRD-TRYPTOPHANA2V7K0.73
DTRD-TRYPTOPHANA,D1CZQ0.73
DTRD-TRYPTOPHANA1DFY0.73
DTRD-TRYPTOPHANA1XY50.73
DTRD-TRYPTOPHANA1NXN0.73
DTRD-TRYPTOPHANA1TKF0.73
DTRD-TRYPTOPHANA1YL90.73
DTRD-TRYPTOPHANA1XXZ0.73
DTRD-TRYPTOPHANA1XY40.73
DTRD-TRYPTOPHANA,D2Q3I0.73
DTRD-TRYPTOPHANA1QFB0.73
DTRD-TRYPTOPHANA1DFZ0.73
DTRD-TRYPTOPHANA1XY90.73
DTRD-TRYPTOPHANA1XY60.73
DTRD-TRYPTOPHANA2SOC0.73
DTRD-TRYPTOPHANA2JUE0.73
DTRD-TRYPTOPHANA1SOC0.73
DTRD-TRYPTOPHANA1YL80.73
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
DTRD-TRYPTOPHANA,B2Q330.73
DTRD-TRYPTOPHANA1DG00.73
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.73
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE		A1E660.71
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.92
THATACRINEA,B2AOW0.8
THATACRINEA,B,C,D,E,F1MX10.8
THATACRINEA,B2AOX0.8
THATACRINEA1ACJ0.8
DCUA,B1J070.73
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE		A,B1Q3W0.78
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.78
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.79
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.79
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine		A3CE50.7
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.87
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.73
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.88
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.88
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.88
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.7
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.7
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.74
TPLTRYPTOPHANOLA1EE70.77
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.76
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.76
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM		A,B1N5R0.74
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA		A,B1PWP0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.7
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.72
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.72
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.72
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.75
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.71
INDINDOLEA1L4H0.86
INDINDOLEA,B,G1O7N0.86
INDINDOLEA185L0.86
INDINDOLEA,B1EG90.86
INDINDOLEA,B1UUV0.86
INDINDOLEA,C,E2B240.86
INDINDOLEA,B,C,D,E,F2P850.86
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.74
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.71
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.86
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW00.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2ERP0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW10.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B,D,E2E3X0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B1PWU0.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.71
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.71
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.74
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.79
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.78
PRLPROFLAVINH,I1BCU0.8
PRLPROFLAVINA,B,D,E1QVT0.8
PRLPROFLAVINA,B2KD40.8
PRLPROFLAVINA1QVU0.8
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.76
4FW4-FLUOROTRYPTOPHANEA1RM90.71
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE		A2B0K0.72
2MI2-METHYL-1H-INDOLEA2PIO0.94
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.77
FTRFLUOROTRYPTOPHANEA2JT80.71
FTRFLUOROTRYPTOPHANEA,B1NF00.71
FTRFLUOROTRYPTOPHANEA2JTZ0.71
FTRFLUOROTRYPTOPHANEA,B1I450.71
FTRFLUOROTRYPTOPHANEA,B2ZNX0.71
FTRFLUOROTRYPTOPHANEA,B1NEY0.71
FTRFLUOROTRYPTOPHANEA,B5FWG0.71
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE		A,B1L1H0.72
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.75
IOPINDOLYLPROPIONIC ACIDA2OLI0.75
IOPINDOLYLPROPIONIC ACIDA,B2AY50.75
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I5A0.72
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE		A,B2NLM0.72
DEQDEQUALINIUMA,B,D,E1JT60.73
DEQDEQUALINIUMA,B,D,E3BR20.73
DEQDEQUALINIUMA1OYD0.73
DEQDEQUALINIUMA,B,D,E3BT90.73
DEQDEQUALINIUMA,B,D,E3BTJ0.73
DEQDEQUALINIUMA,B,D,E3BR10.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.81
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.87
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.87
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.74
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.76
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.75
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.73
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.72
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.76
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.75
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.75
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE		A2HXL0.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.77
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE		A2HXQ0.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.75
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.75
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.88
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.88
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.88
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.88