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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02392586

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.75
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.76
MYTMETYRAPONEA1PHG0.82
MYTMETYRAPONEA1W0G0.82
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.76
MILMILRINONEA,B1TLM0.72
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.7
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone		A,B,D,E3CH60.75
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.72
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.78
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.8
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.8
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.72
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C060.75
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C0A0.75
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.76
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.75
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE		A,B,C,D1WOK0.73
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.72
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.7
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.78
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GII0.7
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GIH0.7
2862-ethenyl-1-methylpyridiniumX2RC20.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.77
QNC2-CARBONYLQUINOLINEA,B2FGV0.77
QNC2-CARBONYLQUINOLINEI1IVQ0.77
QNC2-CARBONYLQUINOLINEA,B2FGU0.77
QNC2-CARBONYLQUINOLINEA1JLD0.77
QNC2-CARBONYLQUINOLINEA,B1HXB0.77
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.77
LA1(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-
(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-
1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE		A,B1XUO0.71
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.79
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.74
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.74
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.76
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.76
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.72
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.73
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.73
ISQISOQUINOLINEA1GDK0.78
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE		A2PE20.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.71
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.7
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		1UW60.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.75
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.75
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.73
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE		A,B,C,D,E,F1P440.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.7
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.7
PY35-[AMINO(IMINO)METHYL]-2-[({[6-
[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-
3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-
1(2H)-YL]ACETYL}AMINO)METHYL]-N-
PYRIDIN-4-YLBENZAMIDE		H,L1Z6J0.73
1SQISOQUINOLIN-1-AMINEA2OHK0.72
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.71
NCANICOTINAMIDEA,B2E5D0.76
NCANICOTINAMIDEA,B,C,D2Z770.76
NCANICOTINAMIDEA,B1DMA0.76
NCANICOTINAMIDEA,B1ISM0.76
NCANICOTINAMIDEA,B1YC50.76
NCANICOTINAMIDEA2ZB70.76
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.76
NCANICOTINAMIDEA,B2QQG0.76
NCANICOTINAMIDEA2OTV0.76
NCANICOTINAMIDEA2QHF0.76
NCANICOTINAMIDEA,B,C,D2C8A0.76
NCANICOTINAMIDEA,B2HJH0.76
NCANICOTINAMIDEA2A150.76
NCANICOTINAMIDEA2R6V0.76
NCANICOTINAMIDEA,B1ISI0.76
NCANICOTINAMIDEA,D,E2R9J0.76
NCANICOTINAMIDEA2H4J0.76
NCANICOTINAMIDEA,B2OD90.76
NCANICOTINAMIDEA,B,C,D,E1YC20.76
NCANICOTINAMIDEA,B3DZG0.76
NCANICOTINAMIDEA1OJU0.76
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.75
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.73
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.75
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.75
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.84
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.7
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.74
UI16-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-
2-YLAMINO)-2-NAPHTHAMIDE		A1SQA0.7
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.74
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.76
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.77