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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00039193

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I2I0.71
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID
A,B1C3E0.7
AK64-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-
b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
A3DJ60.71
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
A,B2VRX0.75
PFH6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-
1-YL]QUINAZOLINE
A2OVV0.72
AAXN-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-
3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-
OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE
A1Y6B0.71
MR94-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-
4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-
4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2P4I0.75
7X83-({4-[(5-CHLORO-1,3-BENZODIOXOL-
4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE
A2VX10.71
FMMN-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-
6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-
2-FURYL]-4-QUINAZOLINAMINE
B,D3BBT0.73
FMMN-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-
6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-
2-FURYL]-4-QUINAZOLINAMINE
A1XKK0.73
LIFN-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-
D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-
FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
A1YWN0.74
PFP2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-
D]PYRIMIDIN-4-YLAMINO]-ETHANOL
A2BR10.73
9795,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
D]PYRIMIDIN-4-AMINE
A2OF40.7
GS22-[(2-{[1-(N,N-dimethylglycyl)-
5-methoxy-1H-indol-6-yl]amino}-
7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-
6-fluoro-N-methylbenzamide
A3EKK0.72
PNU6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-
5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-
YLAMINE
A1IKX0.72
AAZN-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-
5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-
2-AMINE
A1Y6A0.72
8574-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-
2-yl]methoxy}phenyl)amino]-1,3-
benzoxazol-5-yl}oxy)-N-methylpyridine-
2-carboxamide
A,B2QU60.7
NMDN-NAPHTHALEN-1-YLMETHYL-2'-[3,5-
DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE
A,B,C,D,E,F1I320.75
PFQ2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-
4-YL)AMINO]ETHANOL
A2BRB0.73
DFY(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-
4-YLAMINO)-ACETIC
A2BRG0.7
L2GN-(4-{1-[4-(4-ACETYLPIPERAZIN-1-
YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE
A,B2C0O0.71
B4Cbenzyl [(1S)-5-amino-1-{[(1S)-1-
({(1S)-5-amino-1-[(S)-1,3-benzoxazol-
2-yl(hydroxy)methyl]pentyl}carbamoyl)-
3-phenylpropyl]carbamoyl}pentyl]carbamate
B3E160.7
R784-{[(7R)-8-cyclopentyl-7-ethyl-
5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-
2-yl]amino}-3-methoxy-N-(1-methylpiperidin-
4-yl)benzamide
A2RKU0.71
MT45-{4-[(6,7-dimethoxyquinolin-4-
yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-
3-methylpyrimidin-4(3H)-one
A,B3EFK0.71
L1GN-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-
1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-
1-METHYL-1H-INDOLE-2-CARBOXAMIDE
A,B2C0I0.71
1N92,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-
4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN-
4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE
A2OFU0.72
NH83-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-
methyl-1H-imidazol-5-yl)methyl]-
5-nitro-1-benzofuran-7-yl}benzonitrile
A,B2ZIS0.7
HPMN-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-
1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-
4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
A,B2C6E0.73
VG84-(1,4'-bipiperidin-1'-yl)-7-({5-
chloro-2-[(2-methoxyphenyl)amino]pyrimidin-
4-yl}amino)-2-methyl-2,3-dihydro-
1H-isoindol-1-one
A2JKQ0.7
7505-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-
2-CARBOXYLIC ACID ((S)-3-METHYL-
1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-
YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE
A,B1NL60.7
G6HN-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-
1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-
3-(trifluoromethyl)benzamide
B3G6H0.72
A535-{5-[(S)-2-AMINO-3-(1H-INDOL-3-
YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-
(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-
1,3-DIHYDRO-INDOL-2-ONE
A2GHG0.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID
A1OHJ0.7
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID
A1OHK0.7
AQZN-(3-{[7-METHOXY-6-(2-PYRROLIDIN-
1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-
4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
A2BAK0.74
35FN-{3-[5-(1H-1,2,4-triazol-3-yl)-
1H-indazol-3-yl]phenyl}furan-2-
carboxamide
A,B3E7O0.71
382(R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-
N-(2,2-DIFLUORO-2-(PIPERIDIN-2-
YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-
4-AMINE
A,B1ZGI0.7
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide
A,B2P2I0.7
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFR0.74
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1DAJ0.74
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFQ0.74
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFP0.74
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE
A2ORO0.7
TNDN-1,2,3,4-TETRAHYDRONAPHTH-1-YL-
2'-[3,5-DIMETHOXYBENZAMIDO]-2'-
DEOXY-ADENOSINE
A,B,C,D,E,F1I330.74
GNFN~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-
N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-
L-ALANINAMIDE
A,B2F1G0.7
U66(20S)-19,20,22,23-TETRAHYDRO-19-
OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENOBENZ[D]IMIDAZO[4,3-
L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-
9-CARBONITRILE
B1LD70.73
138A,B,C,D1JKX0.72
FRL1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-
1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1WXZ0.72
5472,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
B]PYRIDIN-4-AMINE
A2OF20.7
U49(20S)-19,20,21,22-TETRAHYDRO-19-
OXO-5H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-
K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-
9-CARBONITRILE
A,B1LD80.72
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8R0.72
L3GN-(4-{4-AMINO-1-[1-(TETRAHYDRO-
2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE
A,B2C0T0.72
BI92-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-
4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-
N-METHYLBENZAMIDE
A2JKK0.72
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea
A,B3EFW0.72
DFWN-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-
4-YL)GLYCINE
A2BRH0.73
R64(1-METHYL-1H-IMIDAZOL-2-YL)-(3-
METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-
AMINO]-PROPOXY}-BENZOFURAN-2-YL)-
METHANONE
A,B,C1IYL0.71
PUYPUROMYCINA,B2DPT0.71
PUYPUROMYCIN1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1Q7Y0.71