Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02716930
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
VG8 | 4-(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 | A | 2JKQ | 0.71 | |
LIX | N-[2-({2-AMINO-6-ETHYL-5-[4-(3- METHOXYPROPYL)-2,2-DIMETHYL-3-OXO- 3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6- YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE- 2-SULFONAMIDE | A,B | 2IL2 | 0.75 | |
359 | 3-[[3-[(2R)-3-[[(2S)-5-amino-1- [(4-carbamimidoylphenyl)methylamino]- 1,5-dioxo-pentan-2-yl]amino]-2- (ethylsulfonylamino)-3-oxo-propyl]- 1H-indol-5-yl]oxymethyl]benzoic acid | H,L | 2ZZU | 0.74 | |
R64 | (1-METHYL-1H-IMIDAZOL-2-YL)-(3- METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)- AMINO]-PROPOXY}-BENZOFURAN-2-YL)- METHANONE | A,B,C | 1IYL | 0.74 | |
PFP | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3- D]PYRIMIDIN-4-YLAMINO]-ETHANOL | A | 2BR1 | 0.74 | |
MR9 | 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN- 4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN- 4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2P4I | 0.75 | |
NSI | 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)- 1-[3-(TRIFLUOROMETHYL)BENZYL]-1H- INDOLE-2-CARBOXAMIDE | A | 2HFP | 0.74 | |
4MR | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN- 2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)- TRIONE | A,B | 2OVX | 0.74 | |
LIF | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3- D]PYRIMIDIN-5-YL]PHENYL}-N'-[2- FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | A | 1YWN | 0.74 | |
792 | N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}- 5-methyl-D-tryptophan | A,B,C,D | 3G42 | 0.74 | |
ZYE | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE | A | 2WEZ | 0.7 | |
PFQ | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN- 4-YL)AMINO]ETHANOL | A | 2BRB | 0.72 | |
AAX | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)- 3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3- OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | A | 1Y6B | 0.79 | |
447 | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.74 | |
ILI | N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY- 7-METHYL-1-(PYRIDIN-2-YLSULFONYL)- 2,3,4,7-TETRAHYDRO-1H-AZEPIN-4- YL]AMINO}CARBONYL)-3-METHYLBUTYL]- 1-BENZOFURAN-2-CARBOXAMIDE | A,B | 2FTD | 0.8 | |
5IG | 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL- 2H-1,4-BENZOXAZIN-3(4H)-ONE | A,B | 2G1Y | 0.71 | |
ZY1 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 7-ethyl-1-methyl-3,4-dihydro-1H- [1,2,5]thiadiazepino[3,4,5-hi]indole- 9-carboxamide 2,2-dioxide | A | 2WF1 | 0.7 | |
BI9 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.71 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFR | 0.71 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1DAJ | 0.71 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFQ | 0.71 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFP | 0.71 | |
PNU | 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN- 5-YL-ETHYLSULFANYL)-PYRIMIDIN-4- YLAMINE | A | 1IKX | 0.73 | |
NH7 | 2-[(S)-(4-chlorophenyl)(hydroxy)(1- methyl-1H-imidazol-5-yl)methyl]- N-morpholin-4-yl-7-phenyl-1-benzofuran- 5-carboxamide | A,B | 2ZIR | 0.73 | |
547 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- B]PYRIDIN-4-AMINE | A | 2OF2 | 0.71 | |
GS7 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)- 7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | A | 3ELJ | 0.76 | |
FRL | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)- 1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1WXZ | 0.71 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.72 | |
UA4 | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2-METHYL-2H-1,4- BENZOXAZIN-3(4H)-ONE | A,B | 2I4Q | 0.72 | |
AK5 | 3-({3-[(6-amino-5-bromopyrimidin- 4-yl)sulfanyl]propanoyl}amino)- 4-methoxy-N-phenylbenzamide | A | 3DJ5 | 0.74 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.74 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.74 | |
NH8 | 3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1- methyl-1H-imidazol-5-yl)methyl]- 5-nitro-1-benzofuran-7-yl}benzonitrile | A,B | 2ZIS | 0.7 | |
EHA | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.7 | |
35F | N-{3-[5-(1H-1,2,4-triazol-3-yl)- 1H-indazol-3-yl]phenyl}furan-2- carboxamide | A,B | 3E7O | 0.73 | |
GS2 | 2-[(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 | A | 3EKK | 0.74 | |
AAZ | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]- 5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL- 2-AMINE | A | 1Y6A | 0.78 | |
POS | 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]- 3-[[N/N-(4-PYRIDINYLCARBONYL)-L- LEUCYL]AMINO]-2-PROPANOL | A | 1AU2 | 0.72 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D,U,X | 1FM6 | 0.72 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 2PRG | 0.72 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A | 1ZGY | 0.72 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 3CS8 | 0.72 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D | 3DZY | 0.72 | |
750 | 5-(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,B | 1NL6 | 0.78 | |
897 | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.7 | |
IBI | N-{trans-4-[4-(cyclopropylmethyl)piperazin- 1-yl]cyclohexyl}-4-{[(7R)-7-ethyl- 5-methyl-8-(1-methylethyl)-6-oxo- 5,6,7,8-tetrahydropteridin-2-yl]amino}- 3-methoxybenzamide | A | 3FC2 | 0.7 | |
5PI | N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL- N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}- L-GLUTAMAMIDE | H,L | 1WV7 | 0.74 | |
351 | 1-(3-{5-[4-(aminomethyl)phenyl]- 1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)- 3-(2-phenoxyphenyl)urea | A,B | 3ETA | 0.71 | |
LIA | (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN- 4-YL]AMINO}PYRIMIDIN-5-YL)(2,3- DIFLUORO-6-METHOXYPHENYL)METHANONE | A | 2FVD | 0.72 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.72 | |
7X8 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL- 4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | A | 2VX1 | 0.7 | |
E89 | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A,D | 1Y5X | 0.7 | |
DFW | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN- 4-YL)GLYCINE | A | 2BRH | 0.72 | |
310 | N-carbamimidoyl-2-[2-(2-chlorophenyl)- 5-[4-(4-ethanoylphenoxy)phenyl]pyrrol- 1-yl]ethanamide | A | 2ZDZ | 0.71 | |
A74 | 2,5-DICHLORO-N-[5-METHOXY-7-(6- METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL- 2-YL]BENZENESULFONAMIDE | A,D,H,L | 2FIE | 0.74 | |
IZB | N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)- 2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]PHENYL}ETHYL]-4-METHYL-3,4- DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE | A | 2CNH | 0.72 | |
979 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- D]PYRIMIDIN-4-AMINE | A | 2OF4 | 0.71 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A | 2Z60 | 0.73 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A,B | 2QOH | 0.73 | |
033 | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.75 | |
HPM | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN- 1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN- 4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE | A,B | 2C6E | 0.71 | |
AQZ | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN- 1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}- 4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | A | 2BAK | 0.73 | |
320 | 2-(4-fluorophenyl)-N-{[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | A | 3CTJ | 0.72 | |
MBC | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 0.72 | |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.77 | |
2SM | methyl 2-{[(4-methylpyrimidin-2- yl)carbamoyl]sulfamoyl}benzoate | A | 3EA4 | 0.73 | |
FMM | N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}- 6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)- 2-FURYL]-4-QUINAZOLINAMINE | B,D | 3BBT | 0.76 | |
FMM | N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}- 6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)- 2-FURYL]-4-QUINAZOLINAMINE | A | 1XKK | 0.76 | |
G6G | N-{3-[(3-{4-[(4-methoxyphenyl)amino]- 1,3,5-triazin-2-yl}pyridin-2-yl)amino]- 4-methylphenyl}-4-[(4-methylpiperazin- 1-yl)methyl]benzamide | A,B | 3G6G | 0.71 | |
4FR | 3'-chloro-5'-[6-({2-methoxy-4-[(1- methylpiperidin-4-yl)carbamoyl]phenyl}amino)- 3-methyl-1H-pyrazolo[4,3-c]pyridin- 1-yl]biphenyl-2-carboxamide | A | 3DBE | 0.7 | |
DFY | (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN- 4-YLAMINO)-ACETIC | A | 2BRG | 0.71 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A | 3ET3 | 0.72 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET1 | 0.72 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET2 | 0.72 | |
4IG | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN- 3(4H)-ONE | A,B | 2G1S | 0.72 | |
L1G | N-(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,B | 2C0I | 0.72 | |
2CA | BENZOFURAN-2-CARBOXYLIC ACID {(S)- 3-METHYL-1-[3-OXO-1-(PYRIDIN-2- YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE | A,B | 1NLJ | 0.83 | |
L2G | N-(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,B | 2C0O | 0.72 | |
BNE | 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN- 3-YL)-PHENOXY]-4-[1-AMINO-1-(1- METHYL-1H-IMIDIZOL-5-YL)-ETHYL]- BENZONITRILE | B | 1MZC | 0.7 | |
3IG | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1R | 0.72 | |
R78 | 4-{[(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 | A | 2RKU | 0.72 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FLS | 0.72 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FM1 | 0.72 | |
SU9 | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)- 5-METHOXY-1H-INDOL-2(3H)-ONE | A | 1PF8 | 0.7 | |
L3G | N-(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,B | 2C0T | 0.72 | |
A53 | 5-{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 | A | 2GHG | 0.72 | |
FLX | N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL- (R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]- PHOSPHONIC ACID | A | 4AIG | 0.72 | |
AK8 | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin- 4-yl]pyridin-2-yl}oxy)phenyl]-3- [3-(trifluoromethyl)phenyl]urea | A,B | 3EFW | 0.72 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.71 |