MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002739

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BC32-amino-7-(pyridin-3-ylmethyl)-
3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-
4-one		A,B,C3DJF0.71
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE		A,B3E7T0.71
NTNISONICOTINAMIDINEA7ADH0.79
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.81
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.81
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.71
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.7
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
MYTMETYRAPONEA1PHG0.83
MYTMETYRAPONEA1W0G0.83
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.77
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE		A2BTR0.76
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.72
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.74
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.74
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.71
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.71
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.79
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.79
NA3(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-
4-OXOBUTANOIC ACID		A1RE10.74
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.88
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.74
9HX9-DEAZAHYPOXANTHINEA,B,C1I800.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.76
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.73
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE		A2V0D0.73
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE		A,B,C,D1WOK0.73
PYS2-PYRIDINETHIOLA,B1CTE0.71
PYS2-PYRIDINETHIOLA2IPP0.71
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.75
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1X0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWE0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LW00.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HND0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1FKP0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1U0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWF0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HNY0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1VRT0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWC0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLB0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A3HVT0.76
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLF0.76
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.7
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.7
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.76
NCANICOTINAMIDEA,B2E5D1
NCANICOTINAMIDEA,B,C,D2Z771
NCANICOTINAMIDEA,B1DMA1
NCANICOTINAMIDEA,B1ISM1
NCANICOTINAMIDEA,B1YC51
NCANICOTINAMIDEA2ZB71
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R151
NCANICOTINAMIDEA,B2QQG1
NCANICOTINAMIDEA2OTV1
NCANICOTINAMIDEA2QHF1
NCANICOTINAMIDEA,B,C,D2C8A1
NCANICOTINAMIDEA,B2HJH1
NCANICOTINAMIDEA2A151
NCANICOTINAMIDEA2R6V1
NCANICOTINAMIDEA,B1ISI1
NCANICOTINAMIDEA,D,E2R9J1
NCANICOTINAMIDEA2H4J1
NCANICOTINAMIDEA,B2OD91
NCANICOTINAMIDEA,B,C,D,E1YC21
NCANICOTINAMIDEA,B3DZG1
NCANICOTINAMIDEA1OJU1
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.71
2862-ethenyl-1-methylpyridiniumX2RC20.71
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.74
3MP3-METHYLPYRIDINEA1EUB0.8
3MP3-METHYLPYRIDINEA1BM60.8
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
MILMILRINONEA,B1TLM0.79
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.72
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1RTH0.71
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1RT30.71
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1LW20.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.73
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.73
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.71
ISQISOQUINOLINEA1GDK0.72
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		1UW60.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.74
3AP3-AMINOPYRIDINEA1AEF0.71
3BD7-amino-2-tert-butyl-4-(4-pyrimidin-
2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-
6-carboxamide		A3BAB0.73
BRT5-BROMONICOTINAMIDEA,B1GXZ0.9
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.77
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.9
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.9
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.9
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.9
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.9
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.9
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.71
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A,B,C,D,E,F,
G,H,I,K,L		2JBP0.71
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.72
NNRNicotinamide ribosideA2QT00.78
NNRNicotinamide ribosideA2QT10.78
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.75
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.74
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.72
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.7
NTMQUINOLINIC ACIDA3C2O0.72
NTMQUINOLINIC ACIDA,B1QAP0.72
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.72
NTMQUINOLINIC ACIDA,B,C2B7N0.72
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.72
PYF3-PYRIDINYLCARBINOLA,B1R160.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.79
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.79
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.79
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.8
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
4AP4-AMINOPYRIDINEA1AEG0.73
NIONICOTINIC ACIDA1JHQ0.81
NIONICOTINIC ACIDA1L5L0.81
NIONICOTINIC ACIDA2F7F0.81
NIONICOTINIC ACIDA1L5K0.81
NIONICOTINIC ACIDA1JHY0.81
NIONICOTINIC ACIDA,B1FSL0.81
NIONICOTINIC ACIDA1L5M0.81
NIONICOTINIC ACIDA1LH60.81
NIONICOTINIC ACIDA1JHO0.81
NIONICOTINIC ACIDA3CI80.81
NIONICOTINIC ACIDA,B,C,D1ICU0.81
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.81
NIONICOTINIC ACIDA1JHA0.81
NIONICOTINIC ACIDA1JHV0.81
NIONICOTINIC ACIDA1L4N0.81
NIONICOTINIC ACIDA2LH60.81
NIONICOTINIC ACIDA1D0V0.81
NIONICOTINIC ACIDA,B,C,D1ICV0.81
NIONICOTINIC ACIDA,B1ICR0.81
NIONICOTINIC ACIDA1JHR0.81