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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02198783

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AX66-[(4-methoxybenzyl)sulfanyl]pyrimidine-
2,4-diamine
A,B,C,D3BMR0.7
DH12,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINEA2FZH0.73
CK53-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YLAMINO]-PHENOL
A1PXM0.76
PFE{4-[3-(6,7-DIETHOXY-QUINAZOLIN-
4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-
METHANOL
A,F1KZ80.77
9944-(2-anilinopyridin-3-yl)-N-(3,4,5-
trimethoxyphenyl)-1,3,5-triazin-
2-amine
A2P2H0.71
TUI2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-
2-YL)UREIDO)METHYL)-1H-IMIDAZOL-
4-YL)PHENOXY)ACETIC ACID
A,B2Z6J0.77
7PY7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
A,B2ETM0.71
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A1YHO0.71
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A1LUD0.71
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A2HM90.71
KIMN~4~-methyl-N~4~-(3-methyl-1H-indazol-
6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine
A3CJG0.7
7414-[[3-chloro-4-(1-methylimidazol-
2-yl)sulfanyl-phenyl]amino]-7-[3-
(2-hydroxyethyl-methyl-amino)propoxy]-
6-methoxy-quinoline-3-carbonitrile
A,B,C,D,E,F,
G,H,I,J,K,L,
M,R,S,T
3F5P0.7
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
A2ORP0.7
SAVN~4~-(3-methyl-1H-indazol-6-yl)-
N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine
A3CJF0.71
1N92,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-
4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN-
4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE
A2OFU0.72
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
A1MVS0.71
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
A1MVT0.71
COQ2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
A1LY40.71
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE
A1UYM0.72
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE
A1UY60.72
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea
A,B3EFW0.73
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE
A,B2QJR0.73
THWC2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATEA,B2BEW0.71
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME
A,B2FB80.7
DH3A2FZJ0.7
DH3A2FZI0.7
MSQ4-[3-METHYLSULFANYLANILINO]-6,7-
DIMETHOXYQUINAZOLINE
A1DI90.71
GK14-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-
7-yl}-1,3-thiazole-2-carbaldehyde
A2ZAZ0.71
TOPTRIMETHOPRIMA1DG50.73
TOPTRIMETHOPRIMA,B,C,D,E,F2W9S0.73
TOPTRIMETHOPRIMA,B,C,D2BFM0.73
TOPTRIMETHOPRIMA2W9G0.73
TOPTRIMETHOPRIMA,B,C,D,E,F,
G,H
3FL90.73
TOPTRIMETHOPRIMA1DYR0.73
TOPTRIMETHOPRIMA2W9H0.73
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D,U,X1FM60.74
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B2PRG0.74
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A1ZGY0.74
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B3CS80.74
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D3DZY0.74
CO42,4-DIAMINO-5-METHYL-6-[(3,4,5-
TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-
D]PYRIMIDINE
A1PD80.71
CO42,4-DIAMINO-5-METHYL-6-[(3,4,5-
TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-
D]PYRIMIDINE
A1PD90.71
CK64-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-
5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
A1PXN0.72
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B,C,D3FZN0.7
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B3D7K0.7
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
X3FSJ0.7
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHU0.7
PD11-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-
PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-
PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA
A,B2FGI0.72
LZK6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-
D]PYRIMIDINE-2,7-DIAMINE
A,B2V590.72