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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02656684

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9DA9-DEAZAADENINEA1L1R0.73
9DA9-DEAZAADENINEA1L1Q0.73
NTNISONICOTINAMIDINEA7ADH0.79
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.71
DEQDEQUALINIUMA,B,D,E1JT60.71
DEQDEQUALINIUMA,B,D,E3BR20.71
DEQDEQUALINIUMA1OYD0.71
DEQDEQUALINIUMA,B,D,E3BT90.71
DEQDEQUALINIUMA,B,D,E3BTJ0.71
DEQDEQUALINIUMA,B,D,E3BR10.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.73
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE		A2G6P0.7
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine		A2R3H0.72
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.76
4AP4-AMINOPYRIDINEA1AEG0.88
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.72
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.74
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)		A,B2I190.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.79
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.74
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.72
DA1PYRIDINE-2,5-DIAMINEA2AQD0.84
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		1UW60.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.76
PHN1,10-PHENANTHROLINEA1LIH0.77
PHN1,10-PHENANTHROLINEA2LIG0.77
PHN1,10-PHENANTHROLINEA,B2FU70.77
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE		A1OIQ0.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.75
2862-ethenyl-1-methylpyridiniumX2RC20.81
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.7
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.7
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.76
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.76
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.76
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.76
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.76
1SQISOQUINOLIN-1-AMINEA2OHK0.71
MILMILRINONEA,B1TLM0.75
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.86
APY2-AMINOMETHYL-PYRIDINEI1IVP0.86
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.75
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.88
D4GA,B,C,D2FDY0.8
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE		A2V0D0.71
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.75
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
THATACRINEA,B2AOW0.7
THATACRINEA,B,C,D,E,F1MX10.7
THATACRINEA,B2AOX0.7
THATACRINEA1ACJ0.7
I11[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-
4-YL-AMINOMETHYL]ALANYL]PIPERIDINE		H1UVS0.73
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE		A2W090.72
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE		A2CMF0.7
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.78
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.76
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.72
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE		A1BL70.71
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE		A3ERK0.71
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.7
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE		A3HVC0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.86
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.78
NCANICOTINAMIDEA,B2E5D0.71
NCANICOTINAMIDEA,B,C,D2Z770.71
NCANICOTINAMIDEA,B1DMA0.71
NCANICOTINAMIDEA,B1ISM0.71
NCANICOTINAMIDEA,B1YC50.71
NCANICOTINAMIDEA2ZB70.71
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.71
NCANICOTINAMIDEA,B2QQG0.71
NCANICOTINAMIDEA2OTV0.71
NCANICOTINAMIDEA2QHF0.71
NCANICOTINAMIDEA,B,C,D2C8A0.71
NCANICOTINAMIDEA,B2HJH0.71
NCANICOTINAMIDEA2A150.71
NCANICOTINAMIDEA2R6V0.71
NCANICOTINAMIDEA,B1ISI0.71
NCANICOTINAMIDEA,D,E2R9J0.71
NCANICOTINAMIDEA2H4J0.71
NCANICOTINAMIDEA,B2OD90.71
NCANICOTINAMIDEA,B,C,D,E1YC20.71
NCANICOTINAMIDEA,B3DZG0.71
NCANICOTINAMIDEA1OJU0.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.8
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.76
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.72
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine		A3CGF0.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
CDA2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-
PYRIDINYL)METHYL]ACETAMIDE		B,C1MU60.73
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.76
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.73
RW14-phenylpyrimidineA,B,C3B9S0.71
2AP2-AMINOPYRIDINEA1AEO0.76
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.71
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE		A1VJY0.77
RBUA,B1BEX0.71
ISQISOQUINOLINEA1GDK0.73
3AP3-AMINOPYRIDINEA1AEF0.9
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.75
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE		A2OHR0.77