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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252132

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.79
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.73
MMPN-METHYLMESOPORPHYRINA,B,C,D3FCT0.7
MMPN-METHYLMESOPORPHYRINL1N7M0.7
MMPN-METHYLMESOPORPHYRINB,H1NGW0.7
MMPN-METHYLMESOPORPHYRINA1C1H0.7
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID		A1DB50.7
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA		H2FLR0.7
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.7
DTRD-TRYPTOPHANA,B,C,D2R3C0.78
DTRD-TRYPTOPHANA1XY80.78
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.78
DTRD-TRYPTOPHANA2V7K0.78
DTRD-TRYPTOPHANA,D1CZQ0.78
DTRD-TRYPTOPHANA1DFY0.78
DTRD-TRYPTOPHANA1XY50.78
DTRD-TRYPTOPHANA1NXN0.78
DTRD-TRYPTOPHANA1TKF0.78
DTRD-TRYPTOPHANA1YL90.78
DTRD-TRYPTOPHANA1XXZ0.78
DTRD-TRYPTOPHANA1XY40.78
DTRD-TRYPTOPHANA,D2Q3I0.78
DTRD-TRYPTOPHANA1QFB0.78
DTRD-TRYPTOPHANA1DFZ0.78
DTRD-TRYPTOPHANA1XY90.78
DTRD-TRYPTOPHANA1XY60.78
DTRD-TRYPTOPHANA2SOC0.78
DTRD-TRYPTOPHANA2JUE0.78
DTRD-TRYPTOPHANA1SOC0.78
DTRD-TRYPTOPHANA1YL80.78
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.78
DTRD-TRYPTOPHANA,B2Q330.78
DTRD-TRYPTOPHANA1DG00.78
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.78
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.77
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.72
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione		A3CR00.7
VAW(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-
3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-
2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-
2H-pyran-5-carboxylate		A,B2VAQ0.7
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.79
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.79
4FW4-FLUOROTRYPTOPHANEA1RM90.77
3IL3-(INDOL-3-YL) LACTATEA2A7P0.81
FTRFLUOROTRYPTOPHANEA2JT80.77
FTRFLUOROTRYPTOPHANEA,B1NF00.77
FTRFLUOROTRYPTOPHANEA2JTZ0.77
FTRFLUOROTRYPTOPHANEA,B1I450.77
FTRFLUOROTRYPTOPHANEA,B2ZNX0.77
FTRFLUOROTRYPTOPHANEA,B1NEY0.77
FTRFLUOROTRYPTOPHANEA,B5FWG0.77
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.75
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,B1MMP0.72
4HT4-HYDROXYTRYPTOPHANH,L1RU90.73
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.73
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.73
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.73
T985-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-
2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-
1H-PYRROLE-2-CARBONITRILE		A,B1ZUC0.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.9
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.9
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.73
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3I0.71
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3H0.71
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.73
TRO2-HYDROXY-TRYPTOPHANA1KB00.76
TRO2-HYDROXY-TRYPTOPHANA1G3P0.76
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.72
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.72
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
BTR6-BROMO-TRYPTOPHANA1WCT0.74
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.77
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.77
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A2Q570.71
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXE0.71
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXD0.71
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.7
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.73
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.79
IOPINDOLYLPROPIONIC ACIDA2OLI0.79
IOPINDOLYLPROPIONIC ACIDA,B2AY50.79
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.73
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
SROSEROTONINA,B3BRN0.8
SROSEROTONINA2QEH0.8
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.8
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.8
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.8
DTE7-CL-D-TRYPTOPHANA2V7M0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.79
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.8
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.81
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.73
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.74
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.71
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.77
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE		E2F7X0.71
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.73
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.73
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.76
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.76
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.8
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.8
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.8
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.8
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.8
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.8
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.81
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.81
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.81
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.81
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.81
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.79
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.74
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.74
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.73
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.79
2MI2-METHYL-1H-INDOLEA2PIO0.81
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE		A1O2T0.72
N5P1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-
HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-
BETA-D-ERYTHRO-PENTOFURANOSYL}-
5-NITRO-1H-INDOLE		A,P,T2OZM0.71
N5P1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-
HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-
BETA-D-ERYTHRO-PENTOFURANOSYL}-
5-NITRO-1H-INDOLE		A,C,E,F,I,J,K2OYQ0.71
ASEN-ACETYL SEROTONINA1NAS0.77
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.81
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.73
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide		A,B2QX90.75
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide		A,B2QX80.75
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.77
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.72
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.82
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.82
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.77
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.78
N5I1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE		A,C,E,F,I,J,K2OYQ0.7
6CW6-CHLORO-L-TRYPTOPHANB2GV20.74
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.74
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.77
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.77
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.77
SIESULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-
1H-INDOL-6-YL ESTER		A2BRP0.74
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.77
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		C2OXM0.74
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		B,C2OYT0.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.79
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.74
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.87
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.71
TPLTRYPTOPHANOLA1EE70.87
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.77
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol		A2RH10.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.79
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.79
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.79
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.79
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.81
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.81
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.81
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.81
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.77
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.73
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H1O5E0.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		B1GJ70.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H,I1GJ40.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		A1GJ60.72
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.76
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.76
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.76
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.76
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.76
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.76
710(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-
1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-
2H-1,2,3-TRIAZOL-4-YL)METHANOL		A2HOG0.72
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.76
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.77
4IN4-AMINO-L-TRYPTOPHANA1OXF0.77
LTNL-TRYPTOPHANAMIDEA1MAU0.74
LTNL-TRYPTOPHANAMIDEA,B2QUI0.74
CTE7-CHLOROTRYPTOPHANA2AR80.72
CTE7-CHLOROTRYPTOPHANA2V7L0.72
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.71
PP9PROTOPORPHYRIN IXA1Z530.7
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.7
PP9PROTOPORPHYRIN IXA,B2QD50.7
PP9PROTOPORPHYRIN IXA1HRS0.7
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.7
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.75
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.75
3ID3H-INDOLE-5,6-DIOLA1F9B0.74
3ID3H-INDOLE-5,6-DIOLA1OYO0.74
CRF[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETALDEHYDE		A1CV70.72
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.71
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.77
INDINDOLEA1L4H0.76
INDINDOLEA,B,G1O7N0.76
INDINDOLEA185L0.76
INDINDOLEA,B1EG90.76
INDINDOLEA,B1UUV0.76
INDINDOLEA,C,E2B240.76
INDINDOLEA,B,C,D,E,F2P850.76