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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02899068

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AD33-DEAZA-ADENOSINEA,B1KIE0.76
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.76
AD33-DEAZA-ADENOSINEA,B1R4F0.76
AD33-DEAZA-ADENOSINEA,B1HP00.76
MBZ1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-
BENZOIMIDAZOLE-5'-MONOPHOSPHATE		1,21EEK0.77
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A3CMQ0.71
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A,B1JJC0.71
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.73
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide		A3EXO0.71
3DD(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-
C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID		A,B,C,D,E,F,
G,H		2H5L0.71
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1D0V0.76
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1L4E0.76
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR20.72
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR30.72
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA,B1PT90.72
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol		A3FZK0.73
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5E0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2G0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2H0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2HKC0.71
MQU7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-
7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-
DIAMINE		A,B1M7A0.76
IMK2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-
1-BENZIMIDAZOLE		A1XKX0.76
RW14-phenylpyrimidineA,B,C3B9S0.73
223(3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-
D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-
3-OL		A,B,C,D,E,F2ISC0.71
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.78
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM		A,B2F170.75
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM		A,B3D2V0.75
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.8
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL		A1YGJ0.74
GSZN-[(5R,6R,7R,8S)-6,7-DIHYDROXY-
5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE		A,B2J620.71
XAE3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5-
G]QUINAZOLIN-8-AMINE		A,B2ICZ0.79
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE		A,B2G220.73
OLOOLOMOUCINEA4ERK0.73
OLOOLOMOUCINEC1W0X0.73
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE		A,B,C5STD0.73
3FP(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-
{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
4-YL)AMINO]PHENOXY}PROPAN-2-OL		A1V1K0.71
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine		A3CUV0.71
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE		A,B2G1O0.71
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.72
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.72
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.74
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide		A,B2QQ70.71
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide		A,B2QLQ0.71
PGI(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-(2-PHENYLETHYL)-1,5,6,7,8,8A-
HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-
6,7,8-TRIOL		A,B2CET0.73
PGI(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-(2-PHENYLETHYL)-1,5,6,7,8,8A-
HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-
6,7,8-TRIOL		A,B2CER0.73
VGB(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-
2-(2-phenylethyl)-8-(propanoylamino)-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium		A,B2WB50.71
FCG(N5,C4A)-(ALPHA-HYDROXY-PROPANO)-
3,4,4A,5-TETRAHYDRO-FLAVIN-ADENINE DINUCLEOTIDE		A,B2A890.7
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A,B2IY50.75
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A1B7Y0.75
NBSA1KSW0.76
3GO4-[[(2R,3S,4R,5R)-5-[6-amino-8-
(quinolin-6-ylmethylamino)purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile		A3FZM0.73
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol		A,C3DDP0.73
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H		1W0C0.73
TQ65-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-
2,4-QUINAZOLINEDIAMINE		A,B1IA40.72
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE		A2J5E0.72
FBI7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-
2-(METHANESULFONYL-METHYL-AMINO)-
PYRIMIDIN-5-YL] -3,5-DIHYDROXY-
HEPTANOIC ACID		A,B,C,D1HWL0.72
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE		A1L5K0.74
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1X380.81
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1LQ20.81
UA23,4-PYRROLIDINEDIOL,2-(4-AMINO-
5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)-2S,3S,4R,5R		A,B,C2I4T0.73
89I5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-
MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-
4-AMINE		A,B2I6B0.73
DBIPHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-
BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-
HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-YL] ESTER		A1ID80.76
DF1(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-
OL		A2BRN0.72
3AA3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEA,B,E,F1F6M0.71
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5F0.72
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE		A,B1AOE0.72
AQ4[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-
4-YL]-(3-ETHYNYLPHENYL)AMINE		A1M170.7
PFH6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-
1-YL]QUINAZOLINE		A2OVV0.71
DF2(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-
DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-
4-YLIDENE]AMINO}PROPANE-1,2-DIOL		A2BRO0.74
RRCR-ROSCOVITINEA,B,C,D3DDQ0.74
RRCR-ROSCOVITINEA1YGK0.74
RRCR-ROSCOVITINEA1UNL0.74
RRCR-ROSCOVITINEA2A4L0.74
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL		A1X390.76
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL		A,B2J7C0.76
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.73
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM		A,B2G210.78
NHV(5R,6R,7S,8R)-6,7,8-trihydroxy-
5-(hydroxymethyl)-2-[(phenylamino)methyl]-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium		A,B2VOT0.74
DFZ3-AMINO-3-BENZYL-[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE		A2BRM0.7
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE		A1LY30.72
1DA1-DEAZA-ADENOSINEA1ADD0.74
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.72
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C,D1IHX0.72
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C1PTJ0.72
OA45-methyl-6-phenylquinazoline-2,4-
diamine		A2W6P0.71
NDA3-AMINOMETHYL-PYRIDINIUM-ADENINE-
DINUCLEOTIDE		A,B,C,D1EBU0.74
RMBN1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHYLBENZIMIDAZOLE		A1JHO0.78
RFL8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-
ADENINE-DINUCLEOTIDE		A1D7L0.7
WSA5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINEA,B,C,D2YY50.7
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE		A1KMS0.72