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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00117140

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LIB3-(2-CHLOROPHENYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA
A2GHL0.73
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2K0.74
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2J0.74
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H1O5D0.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H1O5F0.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
B1O5C0.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H,I1O5G0.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
A1O2R0.73
PU89-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-
BENZYL)-9H-PURIN-6-YLAMINE
A1UYD0.71
KLN1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-
DICHLOROPHENYL)-2-(1H-IMIDAZOL-
1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE
A,B,C,D2V0M0.75
KTNCIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-
2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-
DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
A1JIP0.75
KTNCIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-
2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-
DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
A1JIN0.75
BLZ5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-
1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-
2-THIOPHENECARBOXAMIDE
A,C2I400.72
MFQ((2-BROMO-4-METHYLPHENYL){6-[(4-
{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)ACETONITRILE
A1H070.71
IHI9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-
1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-
2-CARBONITRILE
A1U9W0.75
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2IZU0.71
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A,B1YOM0.71
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2Z7S0.71
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI90.71
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GI50.71
7117-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-2-METHYL-BENZIMIDAZOL-
1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID
A1QBO0.72
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEF0.7
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEG0.7
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,T2JEI0.7
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEJ0.7
T121-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-
1H-BENZIMIDAZOL-5-YL PIVALATE
A,B,C,D2NRU0.7
G934-{2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-1-ethyl-7-[(3S)-
piperidin-3-ylmethoxy]-1H-imidazo[4,5-
c]pyridin-4-yl}-2-methylbut-3-en-
2-ol
A,B3D0E0.72
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.71
LIE2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-
9-ISOPROPYL-9H-PURIN-8-AMINE
A2GTN0.75
BYP(2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-
2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H080.76
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
B1O3P0.74
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2I0.74
A2518-CHLORO-11,12,13,14-TETRAHYDRO-
1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-
2-ONE
A2E9U0.73
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.71
PU98-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-
9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
A1UYE0.7
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine
A,B3BLA0.7
R6C(2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-
9H-PURIN-2-YL]AMINO}BUTAN-1-OL
A1YHJ0.71
LIC3-(2-CHLOROBENZYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA
A2GHM0.72
9502-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2O0.73
77A1-(5-CHLORO-2-METHOXYPHENYL)-3-
{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-
2-YL}UREA
A2E9P0.75
3FD4-[[(2R,3S,4R,5R)-5-[6-amino-8-
[(3,4-dichlorophenyl)methylamino]purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZL0.7
FBL(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H010.8
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
3F5P0.72
IHJ9-CYCLOPENTYL-6-{2-[3-(4-METHYL-
PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-
9H-PURINE-2-CARBONITRILE
A1U9X0.76
AM0N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-
1,3,5-triazin-2-yl}-1H-benzimidazol-
2-amine
A3BYM0.76
H8HN-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-
7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-
5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-
4-AMINE
A2H8H0.7
PFJ6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-
2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
A2OVY0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B403D0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A129D0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B130D0.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A3F8C0.72
N206-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINEA,B,C,D1OI90.72
3HT5-[1-(4-methoxyphenyl)-1H-benzimidazol-
6-yl]-1,3,4-oxadiazole-2(3H)-thione
A,B3F880.73
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY80.72
3FP(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-
{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
4-YL)AMINO]PHENOXY}PROPAN-2-OL
A1V1K0.74
7X2A2VWW0.71
MFP((2-BROMO-4-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)ACETONITRILE
A1H070.71
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME
A,B2FB80.72
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
11HRV0.72
9722-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2P0.78
7X6N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-
4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE
A2VWZ0.71
7X7N'-(5-CHLORO-1,3-BENZODIOXOL-4-
YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-
2,4-DIAMINE
A2VX00.73
7X1N-(5-chloro-1,3-benzodioxol-4-yl)-
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-
4-amine
A2VWU0.72
HDY1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-
A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-
2-OL
A1OIR0.83
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.73
2071-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINEA1H0W0.71
PFH6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-
1-YL]QUINAZOLINE
A2OVV0.71
E97[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-
PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-
2-YL}-PHENOXY)-PROPYL]-DIMETHYL-
AMINE
A1FTD0.73
S571-[6-(2-CHLORO-4-METHYXYPHENOXY)-
HEXYL]-IMIDAZOLE
11HRI0.75
3914-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-
(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE
A2ORS0.74
PO5(2S)-1-(dimethylamino)-3-(4-{[4-
(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-
3-yl)pyrimidin-2-yl]amino}phenoxy)propan-
2-ol
A3EID0.73
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE
A1UYC0.71
QQ2[(2-CHLORO-5-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO]ACETONITRILE
A,B,C,D2IW60.78
FAP(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H000.77
3334-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-
(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE
A2ORR0.73
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
G2FJV0.72
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
B2FJX0.72
5OB5-METHOXYBENZIMIDAZOLEA1JHP0.76
6CPA,C1H1R0.72
PMON1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHOXYBENZIMIDAZOLE
A1JHQ0.82
FRL1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-
1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1WXZ0.72
FAL(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H010.8
FCP(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H000.77
342(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-
3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE
A2ORT0.73
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,E,I,L,P3E8E0.74
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E8D0.74
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE
A1L5K0.72
OLP2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-
9-ISOPROPYLPURINE
A,B,C,D3BPR0.7
OLP2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-
9-ISOPROPYLPURINE
A2CMW0.7
BWP(2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-
2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H080.76
RMBN1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHYLBENZIMIDAZOLE
A1JHO0.7
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,C,D,E,F3E8C0.73
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E880.73
2764-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-
3H-benzimidazol-5-yl]oxy]-N-methyl-
pyridine-2-carboxamide
A2QU50.7
1336-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-
PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GJ80.73
2C52-CHLORO-5-(3-CHLORO-PHENYL)-6-
[(4-CYANO-PHENYL)-(3-METHYL-3H-
IMIDAZOL-4-YL)- METHOXYMETHYL]-
NICOTINONITRILE
B1NI10.74
RFZ5,6-dichloro-1-beta-D-ribofuranosyl-
1H-benzimidazole
A,B3H300.76