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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00610869

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.73
SC85-(2,3-dichlorophenyl)-N-(pyridin-
4-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3F0.72
MILMILRINONEA,B1TLM0.72
DA1PYRIDINE-2,5-DIAMINEA2AQD0.72
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.75
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.75
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.77
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.77
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.89
3AP3-AMINOPYRIDINEA1AEF0.72
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.73
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.83
CK14-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-
2-AMINE
A1PXI0.71
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.7
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.79
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
RW14-phenylpyrimidineA,B,C3B9S0.73
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.8
WAI4-{2-[4-(2-AMINOETHYL)PIPERAZIN-
1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-
4-METHYLPHENYL)PYRIMIDIN-2-AMINE
A1Y2F0.77
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.75
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.73
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.75
2AP2-AMINOPYRIDINEA1AEO0.72
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.7
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.71
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.7
2862-ethenyl-1-methylpyridiniumX2RC20.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.87
EPJEPIBATIDINEA,B,C,D,E2BYQ0.81
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.75
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.72
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.71
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.75
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.73
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.73
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
ISQISOQUINOLINEA1GDK0.72
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.72
1SQISOQUINOLIN-1-AMINEA2OHK0.75
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.71
M041-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A2VO30.7
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.7
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.8
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.75
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
1UW60.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.72
4AP4-AMINOPYRIDINEA1AEG0.74
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO70.71
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO60.71
NTNISONICOTINAMIDINEA7ADH0.75
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.77
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.77
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.72
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.71