Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01004758
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 |
YE7 | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.74 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.73 | |
GDV | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7- DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL- 1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2- A]PYRIDINE-2-CARBOXAMIDE | A | 2J47 | 0.72 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.79 | |
9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.79 | |
9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.79 | |
9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.79 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.72 | |
187 | 1-{3-[AMINO(IMINO)METHYL]PHENYL}- N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]- 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE- 5-CARBOXAMIDE | C | 1X7A | 0.71 | |
L0D | 2-(1H-pyrazol-3-yl)-1H-benzimidazole | A | 2W1D | 0.72 | |
OWL | N-1H-imidazol-2-yl-N'-[4-(1H-imidazol- 2-ylamino)phenyl]benzene-1,4-diamine | A,G | 3FSI | 0.72 | |
SC3 | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN- 1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | A,B,C,D | 2AJ8 | 0.71 | |
P29 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)- 2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE- 8-CARBONITRILE | A | 2PVM | 0.71 | |
IH3 | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL- 1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H- [1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE- 5-CARBOXYLIC ACID [4-(2-AMINO-3H- IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE | 2,3 | 1C4Y | 0.73 | |
78P | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.74 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.7 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.7 | |
L0F | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1F | 0.74 | |
BGU | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5- g]quinazolin-8-one | A | 2Z7K | 0.7 | |
FTB | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.73 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.76 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.76 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.76 | |
ABI | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.71 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK3 | 0.7 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK7 | 0.7 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK6 | 0.7 | |
NEZ | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A | 1Y5W | 0.71 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.71 | |
DX6 | 2-amino-5-(2-phenylethyl)-3,7-dihydro- 4H-pyrrolo[2,3-d]pyrimidin-4-one | A,B,C,D | 3BMH | 0.72 | |
LIR | 2-[(3S)-3-AMINOPIPERIDIN-1-YL]- 1-(2-CYANOBENZYL)-5-METHYL-4,6- DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4- D]IMIDAZOL-1-IUM | A | 2I3Z | 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 | 0.76 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.7 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.77 | |
BPG | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.8 | |
BZI | BENZIMIDAZOLE | A | 1RYC | 0.73 | |
BZI | BENZIMIDAZOLE | A | 1L5F | 0.73 | |
BZI | BENZIMIDAZOLE | A | 1KXM | 0.73 | |
L0H | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1H | 0.74 | |
HBN | N-(2-NAPHTHYL)HISTIDINAMIDE | B | 1VEA | 0.74 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.72 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.72 | |
BMI | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.73 | |
IYZ | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2- B]PYRIDAZIN-3-YL}PHENYL)ETHANONE | B | 2C3I | 0.7 | |
NE8 | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO- 8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | A | 1Y5V | 0.72 | |
G14 | 2-phenyl-1H-imidazole-4-carboxylic acid | A,B | 3GRJ | 0.72 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.77 | |
344 | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5- G]QUINAZOLIN-8-ONE | A | 2BBF | 0.73 | |
AIQ | 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)- 3H-QUINAZOLINE-4-ONE | A | 1K4G | 0.7 | |
AIQ | 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)- 3H-QUINAZOLINE-4-ONE | A | 1Q63 | 0.7 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.74 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.72 | |
N31 | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.77 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.71 | |
553 | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.71 |