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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02199216

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.72
INDINDOLEA1L4H0.84
INDINDOLEA,B,G1O7N0.84
INDINDOLEA185L0.84
INDINDOLEA,B1EG90.84
INDINDOLEA,B1UUV0.84
INDINDOLEA,C,E2B240.84
INDINDOLEA,B,C,D,E,F2P850.84
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.79
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.7
BAZBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINCA1XUF0.74
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE		A,B1L1H0.71
BI43-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-
2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-
2,5-DIONE		A,B1SZM0.72
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE		A,B1Q3W0.75
BI23-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-
1-METHYLPYRROLIDINYL]ETHYL}-1H-
INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A1UU70.72
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.75
4FW4-FLUOROTRYPTOPHANEA1RM90.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.72
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A,B2VD50.72
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UVR0.72
FTRFLUOROTRYPTOPHANEA2JT80.7
FTRFLUOROTRYPTOPHANEA,B1NF00.7
FTRFLUOROTRYPTOPHANEA2JTZ0.7
FTRFLUOROTRYPTOPHANEA,B1I450.7
FTRFLUOROTRYPTOPHANEA,B2ZNX0.7
FTRFLUOROTRYPTOPHANEA,B1NEY0.7
FTRFLUOROTRYPTOPHANEA,B5FWG0.7
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.74
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.89
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.89
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.74
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.98
TUO2-(hydrazinocarbonyl)-3-phenyl-
1H-indole-5-sulfonamide		A3B4F0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.71
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		H,I1C1U0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1R0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1P0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1Q0.72
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.74
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE		A,B1SHL0.7
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE		A2HXL0.75
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.75
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.71
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.74
PRLPROFLAVINH,I1BCU0.78
PRLPROFLAVINA,B,D,E1QVT0.78
PRLPROFLAVINA,B2KD40.78
PRLPROFLAVINA1QVU0.78
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM		A,B1N5R0.73
DCUA,B1J070.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.75
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.75
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.75
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.75
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.78
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.78
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.78
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.78
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.78
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.73
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		A,B,C,D1RIR0.72
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		A1PXD0.72
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		A,B,C,D1RIT0.72
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		P1JN20.72
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine		A3CE50.7
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.72
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.73
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA		A,B1PWP0.7
2AQQUINOLIN-2-AMINEA2OHL0.73
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.78
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.77
5BN5-[(2-AMINOETHYL)AMINO]-6-FLUORO-
3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-
2(1H)-ONE		A1P2A0.7
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.86
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.86
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.86
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.86
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H1O5E0.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		B1GJ70.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H,I1GJ40.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		A1GJ60.71
2MI2-METHYL-1H-INDOLEA2PIO0.93
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.77
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.73
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.71
5B25-phenyl-1H-indazol-3-amineA3E630.7
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
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.75
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.77
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
5MB5-METHYLBENZIMIDAZOLEA1JHM0.7
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE		A2HXQ0.75
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.91
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.71
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.79
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.76
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.78
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE		A1O2T0.72
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.9
DTRD-TRYPTOPHANA,B,C,D2R3C0.71
DTRD-TRYPTOPHANA1XY80.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.71
DTRD-TRYPTOPHANA2V7K0.71
DTRD-TRYPTOPHANA,D1CZQ0.71
DTRD-TRYPTOPHANA1DFY0.71
DTRD-TRYPTOPHANA1XY50.71
DTRD-TRYPTOPHANA1NXN0.71
DTRD-TRYPTOPHANA1TKF0.71
DTRD-TRYPTOPHANA1YL90.71
DTRD-TRYPTOPHANA1XXZ0.71
DTRD-TRYPTOPHANA1XY40.71
DTRD-TRYPTOPHANA,D2Q3I0.71
DTRD-TRYPTOPHANA1QFB0.71
DTRD-TRYPTOPHANA1DFZ0.71
DTRD-TRYPTOPHANA1XY90.71
DTRD-TRYPTOPHANA1XY60.71
DTRD-TRYPTOPHANA2SOC0.71
DTRD-TRYPTOPHANA2JUE0.71
DTRD-TRYPTOPHANA1SOC0.71
DTRD-TRYPTOPHANA1YL80.71
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
DTRD-TRYPTOPHANA,B2Q330.71
DTRD-TRYPTOPHANA1DG00.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.71
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE		A1IF90.72
LTNL-TRYPTOPHANAMIDEA1MAU0.77
LTNL-TRYPTOPHANAMIDEA,B2QUI0.77
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.73
IOPINDOLYLPROPIONIC ACIDA2OLI0.73
IOPINDOLYLPROPIONIC ACIDA,B2AY50.73
THATACRINEA,B2AOW0.77
THATACRINEA,B,C,D,E,F1MX10.77
THATACRINEA,B2AOX0.77
THATACRINEA1ACJ0.77
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.72
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.77
770N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-
1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-
9-YL]FORMAMIDE		A2Z2W0.72
DEQDEQUALINIUMA,B,D,E1JT60.72
DEQDEQUALINIUMA,B,D,E3BR20.72
DEQDEQUALINIUMA1OYD0.72
DEQDEQUALINIUMA,B,D,E3BT90.72
DEQDEQUALINIUMA,B,D,E3BTJ0.72
DEQDEQUALINIUMA,B,D,E3BR10.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.75
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.75
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.82
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE		A,B2NLM0.75
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE		A,B,C,D,E,F1P440.71
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.74
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.7
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.74
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.93
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide		A2QU20.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.86
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.86
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.86
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.74
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.74
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.74
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I5A0.75
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.77
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.77
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3I0.74
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3H0.74
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
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.85
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.71
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.71
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.71
TPLTRYPTOPHANOLA1EE70.76
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE		A,B2G1O0.72
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2HRI0.73
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2A5R0.73
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.73
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE		A2B0K0.74
LG13,11-DIFLUORO-6,8,13-TRIMETHYL-
8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM		A,B,D1NZM0.73
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.73
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.73
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.93
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		B311D0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.75
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.75
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.75
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.71
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.7
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.82