Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00241414
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 |
EMU | N-BENZYL-9H-PURIN-6-AMINE | A | 1W1S | 0.72 | |
GVJ | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVZ | 0.7 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.71 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BLA | 0.71 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A | 2BL9 | 0.71 | |
CP6 | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE- 2,4-DIAMINE | A,B,C,D | 1J3J | 0.71 | |
VGG | 1-tert-butyl-3-(3-methylbenzyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A | 2WEI | 0.72 | |
12C | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT- 3-YLAMINO]-3-(1H-BENZIMIDAZOL-2- YL)-6-CHLOROQUINOLIN-2(1H)-ONE | A | 2GDO | 0.72 | |
L23 | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.75 | |
PD3 | 1-{3-[(4-amino-1-cyclopentyl-1H- pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL7 | 0.71 | |
L0F | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1F | 0.7 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.74 | |
I17 | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]- 6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE | A | 1G5S | 0.71 | |
K10 | 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | L | 2PIP | 0.71 | |
OLO | OLOMOUCINE | A | 4ERK | 0.72 | |
OLO | OLOMOUCINE | C | 1W0X | 0.72 | |
PP2 | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A,B | 3GEQ | 0.74 | |
PP2 | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A | 2ZV9 | 0.74 | |
PP2 | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)- 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | A | 1QPE | 0.74 | |
RMC | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.7 | |
7AC | 7-(aminomethyl)-6-(2-chlorophenyl)- 1-methyl-1H-benzimidazole-5-carbonitrile | A,B,C,D | 3CCC | 0.73 | |
778 | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN- 1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE | B,C,D,F,G,H, I,J,K,L | 1S64 | 0.73 | |
778 | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN- 1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE | B | 1S63 | 0.73 | |
PP1 | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 2IVV | 0.71 | |
PP1 | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 1QCF | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.71 | |
GVI | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.72 | |
45P | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5- D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)- BENZAMIDE | A | 1RS4 | 0.74 | |
IYZ | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2- B]PYRIDAZIN-3-YL}PHENYL)ETHANONE | B | 2C3I | 0.7 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.71 | |
LID | 8-(2-CHLOROPHENYLAMINO)-2-(2,6- DIFLUOROPHENYLAMINO)-9-ETHYL-9H- PURINE-1,7-DIIUM | A | 2GTM | 0.72 | |
GVK | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN- 4-YL]PHENYL}-9H-PURINE | A | 2UW0 | 0.74 | |
78P | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.71 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.71 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.71 | |
RRC | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.7 | |
RRC | R-ROSCOVITINE | A | 1YGK | 0.7 | |
RRC | R-ROSCOVITINE | A | 1UNL | 0.7 | |
RRC | R-ROSCOVITINE | A | 2A4L | 0.7 | |
L0H | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1H | 0.7 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.72 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.73 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.73 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.73 | |
P01 | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2IZU | 0.73 | |
P01 | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A,B | 1YOM | 0.73 | |
P01 | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2Z7S | 0.73 | |
AP9 | (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | B | 2F2C | 0.72 | |
C35 | N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL- 1H-1,2,4-TRIAZOL-3-YL]CARBONYL}- N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL- L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L- PHENYLALANINAMIDE | B,D | 2V22 | 0.71 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.75 | |
PD5 | 1-{4-[4-amino-1-(1-methylethyl)- 1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL8 | 0.71 | |
TSX | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.7 | |
KSF | N-(2-chlorophenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZM1 | 0.72 | |
TAB | ACETIC ACID N-[2-CHLORO-5-[6-ETHYL- 2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]- [BENZYL-TRIAZEN-3-YL]ETHYL ESTER | A | 1VJ3 | 0.7 |