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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02661470

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.82
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.82
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.75
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.75
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.75
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.75
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.75
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.75
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.71
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.71
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.74
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.74
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.74
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.75
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.7
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		2JBP0.7
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.75
MILMILRINONEA,B1TLM0.73
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.74
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.73
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.7
LIQN-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-
2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE		A2HM10.71
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.78
MYTMETYRAPONEA1PHG0.74
MYTMETYRAPONEA1W0G0.74
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.72
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.78
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.78
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.7
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE		A2BTR0.7
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.78
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.73
NCANICOTINAMIDEA,B2E5D0.83
NCANICOTINAMIDEA,B,C,D2Z770.83
NCANICOTINAMIDEA,B1DMA0.83
NCANICOTINAMIDEA,B1ISM0.83
NCANICOTINAMIDEA,B1YC50.83
NCANICOTINAMIDEA2ZB70.83
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.83
NCANICOTINAMIDEA,B2QQG0.83
NCANICOTINAMIDEA2OTV0.83
NCANICOTINAMIDEA2QHF0.83
NCANICOTINAMIDEA,B,C,D2C8A0.83
NCANICOTINAMIDEA,B2HJH0.83
NCANICOTINAMIDEA2A150.83
NCANICOTINAMIDEA2R6V0.83
NCANICOTINAMIDEA,B1ISI0.83
NCANICOTINAMIDEA,D,E2R9J0.83
NCANICOTINAMIDEA2H4J0.83
NCANICOTINAMIDEA,B2OD90.83
NCANICOTINAMIDEA,B,C,D,E1YC20.83
NCANICOTINAMIDEA,B3DZG0.83
NCANICOTINAMIDEA1OJU0.83
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPV0.72
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPW0.72
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.72
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.73
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.76
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
NA3(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-
4-OXOBUTANOIC ACID		A1RE10.76
NNRNicotinamide ribosideA2QT00.86
NNRNicotinamide ribosideA2QT10.86
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.73
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1X0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWE0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LW00.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HND0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1FKP0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1U0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWF0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HNY0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1VRT0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWC0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLB0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A3HVT0.7
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLF0.7
NTMQUINOLINIC ACIDA3C2O0.7
NTMQUINOLINIC ACIDA,B1QAP0.7
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.7
NTMQUINOLINIC ACIDA,B,C2B7N0.7
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.72
NIONICOTINIC ACIDA1JHQ0.76
NIONICOTINIC ACIDA1L5L0.76
NIONICOTINIC ACIDA2F7F0.76
NIONICOTINIC ACIDA1L5K0.76
NIONICOTINIC ACIDA1JHY0.76
NIONICOTINIC ACIDA,B1FSL0.76
NIONICOTINIC ACIDA1L5M0.76
NIONICOTINIC ACIDA1LH60.76
NIONICOTINIC ACIDA1JHO0.76
NIONICOTINIC ACIDA3CI80.76
NIONICOTINIC ACIDA,B,C,D1ICU0.76
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.76
NIONICOTINIC ACIDA1JHA0.76
NIONICOTINIC ACIDA1JHV0.76
NIONICOTINIC ACIDA1L4N0.76
NIONICOTINIC ACIDA2LH60.76
NIONICOTINIC ACIDA1D0V0.76
NIONICOTINIC ACIDA,B,C,D1ICV0.76
NIONICOTINIC ACIDA,B1ICR0.76
NIONICOTINIC ACIDA1JHR0.76
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.74
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.74
BRT5-BROMONICOTINAMIDEA,B1GXZ0.76
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.71
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.71