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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02605331

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.88
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
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.73
2AQQUINOLIN-2-AMINEA2OHL0.72
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.7
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.7
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.73
TPLTRYPTOPHANOLA1EE70.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.84
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.84
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.84
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.84
DTRD-TRYPTOPHANA,B,C,D2R3C0.7
DTRD-TRYPTOPHANA1XY80.7
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.7
DTRD-TRYPTOPHANA2V7K0.7
DTRD-TRYPTOPHANA,D1CZQ0.7
DTRD-TRYPTOPHANA1DFY0.7
DTRD-TRYPTOPHANA1XY50.7
DTRD-TRYPTOPHANA1NXN0.7
DTRD-TRYPTOPHANA1TKF0.7
DTRD-TRYPTOPHANA1YL90.7
DTRD-TRYPTOPHANA1XXZ0.7
DTRD-TRYPTOPHANA1XY40.7
DTRD-TRYPTOPHANA,D2Q3I0.7
DTRD-TRYPTOPHANA1QFB0.7
DTRD-TRYPTOPHANA1DFZ0.7
DTRD-TRYPTOPHANA1XY90.7
DTRD-TRYPTOPHANA1XY60.7
DTRD-TRYPTOPHANA2SOC0.7
DTRD-TRYPTOPHANA2JUE0.7
DTRD-TRYPTOPHANA1SOC0.7
DTRD-TRYPTOPHANA1YL80.7
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.7
DTRD-TRYPTOPHANA,B2Q330.7
DTRD-TRYPTOPHANA1DG00.7
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.7
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
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.71
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.85
THATACRINEA,B2AOW0.76
THATACRINEA,B,C,D,E,F1MX10.76
THATACRINEA,B2AOX0.76
THATACRINEA1ACJ0.76
LTNL-TRYPTOPHANAMIDEA1MAU0.76
LTNL-TRYPTOPHANAMIDEA,B2QUI0.76
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.73
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.78
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE		A,B1Q3W0.74
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.74
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2HRI0.71
POH5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINEA2A5R0.71
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE		A2GJB0.72
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.88
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.71
BAZBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINCA1XUF0.72
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.96
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE		A2HXL0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.73
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.88
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.7
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.7
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.7
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.74
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.75
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.74
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.76
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.76
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.71
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.72
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.74
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.74
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.71
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE		A2B0K0.72
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.79
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.77
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.84
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.84
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.84
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I5A0.72
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.71
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE		A,B2NLM0.72
2MI2-METHYL-1H-INDOLEA2PIO0.9
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.72
IOPINDOLYLPROPIONIC ACIDA2OLI0.72
IOPINDOLYLPROPIONIC ACIDA,B2AY50.72
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.7
PRLPROFLAVINH,I1BCU0.76
PRLPROFLAVINA,B,D,E1QVT0.76
PRLPROFLAVINA,B2KD40.76
PRLPROFLAVINA1QVU0.76
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.74
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.71
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.73
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.73
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.73
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.74
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.76
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.88
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.88
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.73
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.73
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		A,B,C,D1RIR0.71
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		A1PXD0.71
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		A,B,C,D1RIT0.71
SFP5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-
21H,23H-PORPHINE		P1JN20.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.73
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.73
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.79
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.75
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE		A2CKM0.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.84
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE		A2HXQ0.72