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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00127890

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D93N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE		A2EI70.74
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.75
DT8N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)-
5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE		A2EI80.73
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE		A,C2C5N0.73
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE		A1PXP0.73
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.73
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.73
TPLTRYPTOPHANOLA1EE70.75
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
BI23-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-
1-METHYLPYRROLIDINYL]ETHYL}-1H-
INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A1UU70.72
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile		A3CY30.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.76
LTNL-TRYPTOPHANAMIDEA,B2QUI0.76
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
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.83
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.83
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.83
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.73
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.73
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE		A,B,C,D,E,F1P440.7
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.71
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE		A1NFW0.73
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.71
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE		A1PXL0.76
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE		A,C,F,H2C5V0.76
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.74
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE		A1MMR0.73
LS2N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-
8H-[1,3]THIAZOLO[5,4-E]INDOL-8-
YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE		A1KE60.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.73
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE		A,B,C,D2VCX0.78
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE		B1XRW0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.74
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
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.74
LL13-pyridin-4-yl-1H-indazoleA3DNE0.75
2MI2-METHYL-1H-INDOLEA2PIO0.75
THZBENZOTHIAZOLEH,I,R1TBZ0.71
THZBENZOTHIAZOLEH,I,R1B5G0.71
DRNBISINDOLYLMALEIMIDE IXA2V7O0.71
SBS(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE		A1IF80.7
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.7
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea		A3D140.74
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
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
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.71
IOPINDOLYLPROPIONIC ACIDA2OLI0.71
IOPINDOLYLPROPIONIC ACIDA,B2AY50.71
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.76
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.76
TOT1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-
BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-
1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM		A108D0.79
D92N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE		A2EI60.74
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
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.72
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.83
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.83
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.83
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.83
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.78
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.78
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.78
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.71
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.78
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
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.8
Q742-(3-((4,5,7-trifluorobenzo[d]thiazol-
2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-
1-yl)acetic acid		A3G5E0.72
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM		A1Y8J0.7
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.74
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.74
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.7
SBR(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE		A1IF70.7
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.79
32T(S)-2-AMINO-3-(4H-THIENO[3,2-B]-
PYRROL-6-YL)-PROPIONIC ACID		A1RMO0.71
G95N-[(1S)-2-amino-1-phenylethyl]-
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-
2-carboxamide		A,B3E870.7
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE		A2CEK0.71
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.74
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline		A3DKG0.71
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline		A3DKF0.71
B18(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-
1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-
6-CARBOXAMIDE		A,B,C2PZY0.72
PR2THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-
OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-
2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE		A1F0S0.75
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.73
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.74
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.85
B97(10R)-10-methyl-3-(6-methylpyridin-
3-yl)-9,10,11,12-tetrahydro-8H-
[1,4]diazepino[5',6':4,5]thieno[3,2-
f]quinolin-8-one		X3FYJ0.72
TMG2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEA1YVM0.7
INDINDOLEA1L4H0.81
INDINDOLEA,B,G1O7N0.81
INDINDOLEA185L0.81
INDINDOLEA,B1EG90.81
INDINDOLEA,B1UUV0.81
INDINDOLEA,C,E2B240.81
INDINDOLEA,B,C,D,E,F2P850.81
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.73
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.7
4IN4-AMINO-L-TRYPTOPHANA1OXF0.7
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.74
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE		A1IF90.73
J074-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-
2-yl]amino}-N-ethylpiperidine-1-
carboxamide		A2P330.7
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.72