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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03264869

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.73
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.73
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.73
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.73
2FH2-PHENYLHEMEA,B1S130.75
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.71
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.7
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.71
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.74
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CAQ0.73
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CIZ0.73
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.71
FMIFE-(4-MESOPORPHYRINONE)-R-ISOMERA1S730.72
FMIFE-(4-MESOPORPHYRINONE)-R-ISOMERA1SBM0.72
FMIFE-(4-MESOPORPHYRINONE)-R-ISOMERA1SDQ0.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.73
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.73
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		A1MMQ0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.72
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.72
3CS3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-
IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-
1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID		A,B,C,D,E,F2Q7R0.71
IDN(E)-N-METHYL-N-(1-METHYL-1H-INDOL-
3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-
[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE		A,B1MFP0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.73
6CW6-CHLORO-L-TRYPTOPHANB2GV20.71
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.71
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.71
4FW4-FLUOROTRYPTOPHANEA1RM90.74
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.7
FTRFLUOROTRYPTOPHANEA2JT80.74
FTRFLUOROTRYPTOPHANEA,B1NF00.74
FTRFLUOROTRYPTOPHANEA2JTZ0.74
FTRFLUOROTRYPTOPHANEA,B1I450.74
FTRFLUOROTRYPTOPHANEA,B2ZNX0.74
FTRFLUOROTRYPTOPHANEA,B1NEY0.74
FTRFLUOROTRYPTOPHANEA,B5FWG0.74
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.76
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.74
HR2(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-
ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-
HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-
YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6B0.71
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.72
MNHMANGANESE PROTOPORPHYRIN IXX2O5B0.72
MNHMANGANESE PROTOPORPHYRIN IXA,B2AYL0.72
MNHMANGANESE PROTOPORPHYRIN IXX2O5Q0.72
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.75
HR1(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-
ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-
3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-
3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6C0.75
LI23-FLUORO-5-MORPHOLIN-4-YL-N-[3-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
5-YL]BENZAMIDE		A1WBS0.71
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,B1MMP0.74
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.71
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE		A,B1I300.71
FEC1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-
TETRAPROPIONIC ACID FERROUS COMPLEX		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1NF40.7
FEC1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-
TETRAPROPIONIC ACID FERROUS COMPLEX		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1NFV0.7
FEC1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-
TETRAPROPIONIC ACID FERROUS COMPLEX		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1NF60.7
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2JF60.73
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2V910.73
3IL3-(INDOL-3-YL) LACTATEA2A7P0.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.72
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.7
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.74
MB9(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-
tetrahydrospiro[beta-carboline-
3,4'-piperidine]-4-carbonitrile		A3CY20.71
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.74
WACN-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-
hexahydroindolo[2,3-a]quinolizin-
12(2H)-yl]propyl}propane-2-sulfonamide		B1S1S0.75
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		A1MMR0.71
DTRD-TRYPTOPHANA,B,C,D2R3C0.76
DTRD-TRYPTOPHANA1XY80.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.76
DTRD-TRYPTOPHANA2V7K0.76
DTRD-TRYPTOPHANA,D1CZQ0.76
DTRD-TRYPTOPHANA1DFY0.76
DTRD-TRYPTOPHANA1XY50.76
DTRD-TRYPTOPHANA1NXN0.76
DTRD-TRYPTOPHANA1TKF0.76
DTRD-TRYPTOPHANA1YL90.76
DTRD-TRYPTOPHANA1XXZ0.76
DTRD-TRYPTOPHANA1XY40.76
DTRD-TRYPTOPHANA,D2Q3I0.76
DTRD-TRYPTOPHANA1QFB0.76
DTRD-TRYPTOPHANA1DFZ0.76
DTRD-TRYPTOPHANA1XY90.76
DTRD-TRYPTOPHANA1XY60.76
DTRD-TRYPTOPHANA2SOC0.76
DTRD-TRYPTOPHANA2JUE0.76
DTRD-TRYPTOPHANA1SOC0.76
DTRD-TRYPTOPHANA1YL80.76
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
DTRD-TRYPTOPHANA,B2Q330.76
DTRD-TRYPTOPHANA1DG00.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.76
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.77
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.77
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.7
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.74
4IN4-AMINO-L-TRYPTOPHANA1OXF0.74
DEUCO(III)-(DEUTEROPORPHYRIN IX)A,B1PYZ0.76
DEUCO(III)-(DEUTEROPORPHYRIN IX)A,B1VL30.76
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.74
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.72
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.73
IOPINDOLYLPROPIONIC ACIDA2OLI0.73
IOPINDOLYLPROPIONIC ACIDA,B2AY50.73
HEOHEME OA,F1FFT0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.7
LTNL-TRYPTOPHANAMIDEA,B2QUI0.7
WBT3-FLUORO-5-MORPHOLIN-4-YL-N-[1-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
6-YL]BENZAMIDE		A1WBT0.7
FDDFE(III) 2,4-DIMETHYL DEUTEROPORPHYRIN IXX3C780.71
FDDFE(III) 2,4-DIMETHYL DEUTEROPORPHYRIN IXX2AT80.71
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.72
TRO2-HYDROXY-TRYPTOPHANA1KB00.7
TRO2-HYDROXY-TRYPTOPHANA1G3P0.7
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.77
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE		A,B1UDU0.72
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE		A1XOZ0.72
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.72
BTR6-BROMO-TRYPTOPHANA1WCT0.71
STUSTAUROSPORINEA,B3CBL0.71
STUSTAUROSPORINEA1QPJ0.71
STUSTAUROSPORINEA,B3CD30.71
STUSTAUROSPORINEA2ITU0.71
STUSTAUROSPORINEA,B2BUJ0.71
STUSTAUROSPORINEA,B2CLQ0.71
STUSTAUROSPORINEA1XBC0.71
STUSTAUROSPORINEA2ITW0.71
STUSTAUROSPORINEA1E8Z0.71
STUSTAUROSPORINEA1YHS0.71
STUSTAUROSPORINEA,B3D7T0.71
STUSTAUROSPORINEA1QPD0.71
STUSTAUROSPORINEA2Z7R0.71
STUSTAUROSPORINEA,B,C,D2NRY0.71
STUSTAUROSPORINEA1U590.71
STUSTAUROSPORINEA1NVR0.71
STUSTAUROSPORINEA,B,C,D2OIC0.71
STUSTAUROSPORINEA1AQ10.71
STUSTAUROSPORINEA1BYG0.71
STUSTAUROSPORINEA,B1SM20.71
STUSTAUROSPORINEX2DQ70.71
STUSTAUROSPORINEA3CKX0.71
STUSTAUROSPORINEA,B1Q3D0.71
STUSTAUROSPORINEE1STC0.71
STUSTAUROSPORINEA1OKY0.71
STUSTAUROSPORINEA1WVY0.71
STUSTAUROSPORINEA2HW70.71
STUSTAUROSPORINEA,B1SNU0.71
STUSTAUROSPORINEA2ITQ0.71
STUSTAUROSPORINEA,B,C,D1NXK0.71
STUSTAUROSPORINEA3BKB0.71
STUSTAUROSPORINEA1XJD0.71
STUSTAUROSPORINEA3FME0.71
STUSTAUROSPORINEA,B2GCD0.71
STUSTAUROSPORINEA,B,C2PZY0.71
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.72
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.82
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.76
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.73
CMI1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-
1H-INDOLE-2-CARBOXYLIC ACID 3,5-
DIMETHYL-BENZYLAMIDE		B1LQD0.71
NCE3,6-Bis[(3-morpholinopropionamido)] acridineA,B3EM20.71
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.72
IIE1-{2-[(4-CHLOROPHENYL)AMINO]-2-
OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE		B2BQW0.71
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.72
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA2J0J0.71
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEB2J0M0.71
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B2J0K0.71
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA1YVJ0.71
4ST1,2,3,4-TETRAHYDROGEN-STAUROSPORINEA,B,C2HZ40.71
MNRPROTOPORPHYRIN IX CONTAINING MNA2FE60.72
MNRPROTOPORPHYRIN IX CONTAINING MNA2FER0.72
MNRPROTOPORPHYRIN IX CONTAINING MNX2O580.72
MNRPROTOPORPHYRIN IX CONTAINING MNX2O5L0.72
MNRPROTOPORPHYRIN IX CONTAINING MNX2O5O0.72
MNRPROTOPORPHYRIN IX CONTAINING MNX2O5M0.72
MNRPROTOPORPHYRIN IX CONTAINING MNA,B2FEU0.72
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.72
HEGPROTOPORPHYRIN IX CONTAINING MGA,B,C,D1QSH0.72
HEGPROTOPORPHYRIN IX CONTAINING MGA,B,C,D1QSI0.72