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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02759781

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE		A,B,C,D2CKE0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.79
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.75
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE		A,B,C1O6H0.7
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.75
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.75
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.75
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.75
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.75
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.75
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.75
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.75
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.78
DTRD-TRYPTOPHANA,B,C,D2R3C0.72
DTRD-TRYPTOPHANA1XY80.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.72
DTRD-TRYPTOPHANA2V7K0.72
DTRD-TRYPTOPHANA,D1CZQ0.72
DTRD-TRYPTOPHANA1DFY0.72
DTRD-TRYPTOPHANA1XY50.72
DTRD-TRYPTOPHANA1NXN0.72
DTRD-TRYPTOPHANA1TKF0.72
DTRD-TRYPTOPHANA1YL90.72
DTRD-TRYPTOPHANA1XXZ0.72
DTRD-TRYPTOPHANA1XY40.72
DTRD-TRYPTOPHANA,D2Q3I0.72
DTRD-TRYPTOPHANA1QFB0.72
DTRD-TRYPTOPHANA1DFZ0.72
DTRD-TRYPTOPHANA1XY90.72
DTRD-TRYPTOPHANA1XY60.72
DTRD-TRYPTOPHANA2SOC0.72
DTRD-TRYPTOPHANA2JUE0.72
DTRD-TRYPTOPHANA1SOC0.72
DTRD-TRYPTOPHANA1YL80.72
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.72
DTRD-TRYPTOPHANA,B2Q330.72
DTRD-TRYPTOPHANA1DG00.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.72
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.72
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.7
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.71
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.7
PY7PYRIDIN-4-YLMETHANOLA2EUR0.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM		A,B2G210.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.75
PYF3-PYRIDINYLCARBINOLA,B1R160.77
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.7
PHN1,10-PHENANTHROLINEA1LIH0.78
PHN1,10-PHENANTHROLINEA2LIG0.78
PHN1,10-PHENANTHROLINEA,B2FU70.78
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.7
BMSA,B1DKF0.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.7
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.77
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.71
QNDQUINALDIC ACIDA,B1IDA0.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.78
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.81
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.81
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.81
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.75
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.8
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.8
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL		A2CGV0.74
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A1RFT0.71
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A,B2Z9V0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.74
IOPINDOLYLPROPIONIC ACIDA2OLI0.74
IOPINDOLYLPROPIONIC ACIDA,B2AY50.74
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.75
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.72
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.72
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID		A1M0P0.71
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium		A3GSY0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.76
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.76
4FW4-FLUOROTRYPTOPHANEA1RM90.71
ISQISOQUINOLINEA1GDK0.78
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.72
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.71
FTRFLUOROTRYPTOPHANEA2JT80.71
FTRFLUOROTRYPTOPHANEA,B1NF00.71
FTRFLUOROTRYPTOPHANEA2JTZ0.71
FTRFLUOROTRYPTOPHANEA,B1I450.71
FTRFLUOROTRYPTOPHANEA,B2ZNX0.71
FTRFLUOROTRYPTOPHANEA,B1NEY0.71
FTRFLUOROTRYPTOPHANEA,B5FWG0.71
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.74
SROSEROTONINA,B3BRN0.72
SROSEROTONINA2QEH0.72
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.72
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.7
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE		A,B1JES0.74
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)		A2RAH0.76
1SQISOQUINOLIN-1-AMINEA2OHK0.72
3IL3-(INDOL-3-YL) LACTATEA2A7P0.75
PRLPROFLAVINH,I1BCU0.71
PRLPROFLAVINA,B,D,E1QVT0.71
PRLPROFLAVINA,B2KD40.71
PRLPROFLAVINA1QVU0.71
THATACRINEA,B2AOW0.73
THATACRINEA,B,C,D,E,F1MX10.73
THATACRINEA,B2AOX0.73
THATACRINEA1ACJ0.73
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.85
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.75
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.75
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		1UW60.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.7
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.73
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.73
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.75
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.75
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.75
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.72
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		C2OXM0.72
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		B,C2OYT0.72
4PPC,L1XKA0.73
4PPA,B,C,D1XKB0.73
TPLTRYPTOPHANOLA1EE70.79
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.75
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.75