Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01183453
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 |
IH4 | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL) | A | 2BJU | 0.72 | |
320 | 2-(4-fluorophenyl)-N-{[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | A | 3CTJ | 0.71 | |
BZC | A | 1EFY | 0.71 | ||
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 | 0.73 | |
PUY | PUROMYCIN | A,B | 2DPT | 0.74 | |
PUY | PUROMYCIN | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1Q7Y | 0.74 | |
NMD | N-NAPHTHALEN-1-YLMETHYL-2'-[3,5- DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | A,B,C,D,E,F | 1I32 | 0.7 | |
E89 | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A,D | 1Y5X | 0.71 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 5 | 1NJP | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQO | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 0,5 | 1NJM | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 5 | 1NJO | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQL | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 0,1,2,3,4,9, A,B,C,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQM | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1Q82 | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 1KQS | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | B | 1FG0 | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1Q81 | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 0,1,3,4,9,A, B,C,F,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 3CD6 | 0.72 | |
PPU | PUROMYCIN-5'-MONOPHOSPHATE | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.72 | |
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,B | 1ZGI | 0.76 | |
AGN | A | 1GNP | 0.72 | ||
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.72 | |
1FN | 1-(4-fluorophenyl)-N-[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]- 2-oxo-1,2-dihydropyridine-3-carboxamide | A | 3CE3 | 0.7 | |
TND | N-1,2,3,4-TETRAHYDRONAPHTH-1-YL- 2'-[3,5-DIMETHOXYBENZAMIDO]-2'- DEOXY-ADENOSINE | A,B,C,D,E,F | 1I33 | 0.71 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D,U,X | 1FM6 | 0.71 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 2PRG | 0.71 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A | 1ZGY | 0.71 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 3CS8 | 0.71 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D | 3DZY | 0.71 | |
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 | 0.7 | |
CO9 | 1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL- 4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN | A | 2OPY | 0.71 | |
BI9 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.71 | |
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 | 0.71 | |
ONM | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE- 5'-TRIPHOSPHATE | A,C | 1TL7 | 0.72 | |
ONM | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE- 5'-TRIPHOSPHATE | A,C | 1U0H | 0.72 | |
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,B | 1LD8 | 0.71 | |
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 | 0.71 | |
FRL | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)- 1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1WXZ | 0.76 | |
R6C | (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL- 9H-PURIN-2-YL]AMINO}BUTAN-1-OL | A | 1YHJ | 0.71 | |
VRS | VIRGINIAMYCIN S1 | 0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 1YIT | 0.7 | |
CX1 | N-[(benzyloxy)carbonyl]-L-histidyl- N-methyl-L-phenylalanyl-L-tyrosine | B | 3C72 | 0.74 | |
N41 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN- 2-YLAMINO)--BENZAMIDE | A,B,C,D | 1OIY | 0.78 | |
IEY | 2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)- 4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE | A,B,C,D | 2BTJ | 0.73 | |
IEY | 2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)- 4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE | A,B,C,D | 2VVJ | 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 | 0.76 | |
4RB | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.72 | |
H35 | N-(FURAN-2-YLMETHYL)-7H-PURIN-6- AMINE | A | 2UY5 | 0.7 | |
RC7 | {(2R)-4-(4-HYDROXYBENZYL)-2-[2- (1H-IMIDAZOL-4-YL)ETHYL]-5-OXO- 2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE | A,B,C,D | 2GW4 | 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 | 0.74 | |
AAX | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)- 3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3- OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | A | 1Y6B | 0.72 | |
N20 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | A,B,C,D | 1OI9 | 0.7 | |
663 | 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN- 2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)- 4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE- 2-CARBOXAMIDE | B | 2P3U | 0.7 | |
GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.74 | |
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 | 0.72 | |
207 | 1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE | A | 1H0W | 0.71 | |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.72 | |
857 | 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin- 2-yl]methoxy}phenyl)amino]-1,3- benzoxazol-5-yl}oxy)-N-methylpyridine- 2-carboxamide | A,B | 2QU6 | 0.71 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A | 2Z60 | 0.72 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A,B | 2QOH | 0.72 | |
7CS | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE | A | 2QHM | 0.72 | |
228 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]- 1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN- 4-YL]-D-PROLINAMIDE | A | 2ORO | 0.74 | |
ONA | A,C | 2GVZ | 0.7 | ||
276 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]- 3H-benzimidazol-5-yl]oxy]-N-methyl- pyridine-2-carboxamide | A | 2QU5 | 0.72 | |
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 | B | 1LD7 | 0.73 | |
SU9 | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)- 5-METHOXY-1H-INDOL-2(3H)-ONE | A | 1PF8 | 0.77 | |
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 | 0.7 | |
MNT | 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE- 5'-DIPHOSPHATE | A | 1LVK | 0.71 | |
R86 | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)- 6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN- 2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE | A | 2ORP | 0.76 | |
090 | N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2- C] QUINAZOLIN-5-YL)NICOTINAMIDE | A | 2CHX | 0.74 | |
TZY | 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL- 5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3- A]PYRIDINE | A | 1ZZL | 0.71 | |
I19 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin- 1-yl]carbonyl}phenyl)-5-fluoro- 4-[2-methyl-1-(1-methylethyl)-1H- imidazol-5-yl]pyrimidin-2-amine | A | 2W17 | 0.71 | |
RUN | 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)- L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)- (2-METHYLPROPIONYL)IMIDAZOLE | B | 1HPS | 0.75 | |
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 | 0.7 | |
FRC | 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}- 1H-IMIDAZONE-4-CARBOXAMIDE | A | 1V7A | 0.72 | |
R64 | (1-METHYL-1H-IMIDAZOL-2-YL)-(3- METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)- AMINO]-PROPOXY}-BENZOFURAN-2-YL)- METHANONE | A,B,C | 1IYL | 0.76 | |
215 | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN- 1-ONE OXIME | A,B | 2FB8 | 0.73 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.71 | |
AAZ | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]- 5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL- 2-AMINE | A | 1Y6A | 0.71 | |
MBC | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 0.74 | |
2A6 | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE | A,C | 1H1Q | 0.71 |