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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00525020

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.73
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.84
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.84
TPLTRYPTOPHANOLA1EE70.73
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.74
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.77
DEQDEQUALINIUMA,B,D,E1JT60.71
DEQDEQUALINIUMA,B,D,E3BR20.71
DEQDEQUALINIUMA1OYD0.71
DEQDEQUALINIUMA,B,D,E3BT90.71
DEQDEQUALINIUMA,B,D,E3BTJ0.71
DEQDEQUALINIUMA,B,D,E3BR10.71
PRLPROFLAVINH,I1BCU0.73
PRLPROFLAVINA,B,D,E1QVT0.73
PRLPROFLAVINA,B2KD40.73
PRLPROFLAVINA1QVU0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.75
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.71
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.86
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE		A2HXL0.73
DCUA,B1J070.72
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.73
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2HRI0.71
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2A5R0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.82
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.82
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.82
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.71
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.71
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.7
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide		A2QU20.7
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.74
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.75
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.76
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM		A,B1N5R0.73
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.71
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.72
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
MRX5-bromo-3-(pyrrolidin-1-ylsulfonyl)-
1H-indole-2-carboxamide		A2RF20.73
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE		A1O3L0.73
BTR6-BROMO-TRYPTOPHANA1WCT0.73
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.82
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.72
4113-bromo-N-[4-[1-(2-carbamimidamido-
2-oxo-ethyl)-5-phenyl-pyrrol-2-
yl]phenyl]benzamide		A2ZE10.72
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.77
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3I0.77
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3H0.77
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE		A,B1L1H0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.82
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.82
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.82
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.82
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.71
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.71
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.71
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.71
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.71
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.77
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.81
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.81
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
THATACRINEA,B2AOW0.72
THATACRINEA,B,C,D,E,F1MX10.72
THATACRINEA,B2AOX0.72
THATACRINEA1ACJ0.72
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.73
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.7
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.7
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.7
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.7
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE		A,B,C,D,E,F1P440.71
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.75
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.75
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE		A2HXQ0.74
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I5A0.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.84
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.82
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE		A,B2NLM0.72
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE		A2B0K0.73
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.73
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.76
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE		A,B1Q3W0.71
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.84
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.75
INDINDOLEA1L4H0.79
INDINDOLEA,B,G1O7N0.79
INDINDOLEA185L0.79
INDINDOLEA,B1EG90.79
INDINDOLEA,B1UUV0.79
INDINDOLEA,C,E2B240.79
INDINDOLEA,B,C,D,E,F2P850.79
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.72
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.75
LTNL-TRYPTOPHANAMIDEA,B2QUI0.75
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.84
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.79
2MI2-METHYL-1H-INDOLEA2PIO0.83