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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02799298

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HM4TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-
3-YL}CARBAMATE		A2NQ60.71
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE		A1S6Q0.72
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide		A3DBC0.71
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,C1MU60.76
NAZN~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-
2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-
OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-
2-YL)METHYL]-BETA-ALANINAMIDE		A,B1X260.71
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.74
4AP4-AMINOPYRIDINEA1AEG0.71
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE		A2G6P0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
9DA9-DEAZAADENINEA1L1R0.74
9DA9-DEAZAADENINEA1L1Q0.74
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine		A,C,D,E2ZJU0.7
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine		A,B,C,D3C790.7
CC3N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE		A2NP80.77
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.76
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE		A2W060.71
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.72
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.7
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.73
P1E4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-N-methylbenzenesulfonamide		A3H3C0.71
HM53-[(2,2-DIMETHYLPROPANOYL)AMINO]-
N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE		A2NQ70.74
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1RTH0.73
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1RT30.73
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1LW20.73
26DPYRIDINE-2,6-DIAMINEA2ANZ0.72
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.71
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE		A1OIQ0.78
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine		A2R3H0.75
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE		A2V0D0.73
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine		A3CGF0.7
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID		A,B1T1S0.73
LI8N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-
1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-
4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE		A1Z5M0.78
JNKN-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-
BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE		X2EXC0.75
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.72
2AP2-AMINOPYRIDINEA1AEO0.78
OPN{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-
DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-
ACETYL]-AMINO}-ACETIC ACID		A,B,C,D1HZS0.77
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.73
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.73
RW14-phenylpyrimidineA,B,C3B9S0.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.79
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.79
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.77
DA1PYRIDINE-2,5-DIAMINEA2AQD0.85
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.71
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.71
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.71
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide		A,B,C,D,E3FAA0.72
SX24-[(5-bromopyridin-2-yl)amino]-
4-oxobutanoic acid		A,B3CJ00.79
IM92-{4-[4-({4-[2-methyl-1-(1-methylethyl)-
1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-
1-yl}-2-oxoethanol		A2VV90.75
MILMILRINONEA,B1TLM0.75
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide		A3FQE0.78
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid		A3F2A0.72
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.73
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1X0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWE0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LW00.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HND0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1FKP0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1U0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWF0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HNY0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1VRT0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWC0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLB0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A3HVT0.79
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLF0.79
LQQ6-ACETYL-8-CYCLOPENTYL-5-METHYL-
2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-
D]PYRIMIDIN-7(8H)-ONE		A,B2EUF0.78
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.8
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.7
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide		A3CGO0.74
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine		A,G3FSI0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.73
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.74
NTNISONICOTINAMIDINEA7ADH0.72
CDB2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-
METHYL-6-PYRIDINYL)METHYL]ACETAMIDE		B,C1MU80.73
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE		A2W090.72
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.81
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.71
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide		A3BAA0.71
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide		A3EXB0.75
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE		A2BTR0.72
3AP3-AMINOPYRIDINEA1AEF0.76
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine		A,B3B3N0.73
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine		A,B3DQR0.73
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.72
MUHN-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-
2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE		A2OSC0.71
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine		A3CUV0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7S0.8
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7M0.8
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B,C,D3E7G0.8
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.73
PY86-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-
1(18),3(19),4,6,14,16-HEXAENE 13,13-
DIOXIDE		A2J9M0.7
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.72
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine		A2RA70.73
CDD2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-
2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE		B,C1MUE0.71
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,B1MFP0.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)		A,B2I190.78
MPZ4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-
N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]PHENYL}BENZAMIDE		A1Y570.72
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol		A,B3B3M0.71
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E6L0.77
L17L17A,B1Z710.7
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A,B2ZD10.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A2ZE20.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile		A,B3BGR0.72
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine		A2W170.71
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GII0.71
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GIH0.71
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE		A1BL60.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B,C,D2HYY0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1IEP0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1OPJ0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1T460.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3GVU0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2OIQ0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3FW10.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2PL00.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1XBB0.71
2862-ethenyl-1-methylpyridiniumX2RC20.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.73
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.73
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea		A2RHQ0.7
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea		A,B,C,D2RHS0.7
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.75
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE		A2OHR0.77
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID		A,B1T1R0.71