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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02134061

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE		A,B1Q3W0.73
ABZ4-[4-AMINO-6-(5-CHLORO-1H-INDOL-
4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-
BENZONITRILE		A1S9G0.71
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.73
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
2MI2-METHYL-1H-INDOLEA2PIO0.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.73
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.73
N5I1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE		A,C,E,F,I,J,K2OYQ0.76
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.79
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.71
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.76
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.71
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.71
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		C2OXM0.71
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		B,C2OYT0.71
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.7
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.78
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.8
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.74
N5P1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-
HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-
BETA-D-ERYTHRO-PENTOFURANOSYL}-
5-NITRO-1H-INDOLE		A,P,T2OZM0.75
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,K2OYQ0.75
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
TPLTRYPTOPHANOLA1EE70.72
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T		1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.79
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.73
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL		A2CGV0.71
INDINDOLEA1L4H0.78
INDINDOLEA,B,G1O7N0.78
INDINDOLEA185L0.78
INDINDOLEA,B1EG90.78
INDINDOLEA,B1UUV0.78
INDINDOLEA,C,E2B240.78
INDINDOLEA,B,C,D,E,F2P850.78
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
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)		A2O1I0.71
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)		A,B3GSK0.71
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)		A3GSJ0.71
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.71
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.72
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
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.81
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
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
ISQISOQUINOLINEA1GDK0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.73
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.7
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.7
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.7
MQU7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-
7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-
DIAMINE		A,B1M7A0.7
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.73
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.71
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
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE		A,B1AOE0.73
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.74
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.76
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.76
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.71
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.7
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.7
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.76
RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-
1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YL)-
SUCCINAMIDE		A1MMQ0.73
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
LTNL-TRYPTOPHANAMIDEA1MAU0.73
LTNL-TRYPTOPHANAMIDEA,B2QUI0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.72