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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02501454

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AA3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEA,B,E,F1F6M0.77
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.77
1DA1-DEAZA-ADENOSINEA1ADD0.79
FAL(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H010.7
GDV(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-
DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDINE-2-CARBOXAMIDE
A2J470.72
3FD4-[[(2R,3S,4R,5R)-5-[6-amino-8-
[(3,4-dichlorophenyl)methylamino]purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZL0.74
HDY1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-
A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-
2-OL
A1OIR0.75
V125'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-
5'-DEOXYCYTIDINE
A,B2V2V0.71
00A5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosineX3CW80.71
I242-butoxy-9-(2,6-difluorobenzyl)-
N-(2-morpholin-4-ylethyl)-9H-purin-
6-amine
A,B2VVT0.74
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM
A2GTM0.76
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.81
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.81
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.81
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5E0.72
NVG4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-
2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-
L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-
ONE
A,B2V2Q0.7
DF2(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-
DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-
4-YLIDENE]AMINO}PROPANE-1,2-DIOL
A2BRO0.71
AD5N~6~-cyclohexyl-N~2~-(4-morpholin-
4-ylphenyl)-9H-purine-2,6-diamine
A,B2VGO0.77
OLOOLOMOUCINEA4ERK0.75
OLOOLOMOUCINEC1W0X0.75
RFZ5,6-dichloro-1-beta-D-ribofuranosyl-
1H-benzimidazole
A,B3H300.77
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
A1X390.78
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
A,B2J7C0.78
NBSA1KSW0.75
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR20.74
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR30.74
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA,B1PT90.74
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL
A1X380.73
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL
A1LQ20.73
6CPA,C1H1R0.71
RMBN1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHYLBENZIMIDAZOLE
A1JHO0.71
XAE3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5-
G]QUINAZOLIN-8-AMINE
A,B2ICZ0.71
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
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A,B2IY50.75
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A1B7Y0.75
RRCR-ROSCOVITINEA,B,C,D3DDQ0.77
RRCR-ROSCOVITINEA1YGK0.77
RRCR-ROSCOVITINEA1UNL0.77
RRCR-ROSCOVITINEA2A4L0.77
AD33-DEAZA-ADENOSINEA,B1KIE0.78
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.78
AD33-DEAZA-ADENOSINEA,B1R4F0.78
AD33-DEAZA-ADENOSINEA,B1HP00.78
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,B2VOT0.77
FRTN-(2-METHOXYETHYL)-4-({4-[2-METHYL-
1-(1-METHYLETHYL)-1H-IMIDAZOL-5-
YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
A2W050.7
PVBPURVALANOLA1CKP0.73
PVBPURVALANOLA,B1V0P0.73
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE
A1L5K0.73
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C,D1IHX0.74
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C1PTJ0.74
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZK0.8
IZZ(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-
b]pyridazin-6-yl]amino}-3-methylbutan-
1-ol
A3F2N0.7
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,B2CET0.71
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,B2CER0.71
IMK2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-
1-BENZIMIDAZOLE
A1XKX0.7
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
B2F2C0.84
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5F0.72
NBDN6-BENZYL-NICOTINAMIDE-ADENINE-
DINUCLEOTIDE
A,B,C,D1GYQ0.71
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A3CMQ0.72
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A,B1JJC0.72
FBL(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H010.7
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
2H5L0.73
IHJ9-CYCLOPENTYL-6-{2-[3-(4-METHYL-
PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-
9H-PURINE-2-CARBONITRILE
A1U9X0.72
3GO4-[[(2R,3S,4R,5R)-5-[6-amino-8-
(quinolin-6-ylmethylamino)purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZM0.7
NDA3-AMINOMETHYL-PYRIDINIUM-ADENINE-
DINUCLEOTIDE
A,B,C,D1EBU0.75
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol
A,C3DDP0.78
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.72
OLP2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-
9-ISOPROPYLPURINE
A,B,C,D3BPR0.78
OLP2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-
9-ISOPROPYLPURINE
A2CMW0.78
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2IZU0.85
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A,B1YOM0.85
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2Z7S0.85
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.73
WSA5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINEA,B,C,D2YY50.7
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZG0.71
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA1DRV0.71
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B2EWD0.71
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZF0.71
FAOA,B2JBV0.7