Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00063154
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 |
PXG![]() | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.72 | ![]() |
TRW![]() | TRW3-(2-AMINO-3-HYDROXY-PROPYL)- 6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO- INDOL-7-OL | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MG3 | 0.71 | ![]() |
TRW![]() | TRW3-(2-AMINO-3-HYDROXY-PROPYL)- 6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO- INDOL-7-OL | A,B,C | 1PBY | 0.71 | ![]() |
4HG![]() | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G19 | 0.74 | ![]() |
4HG![]() | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G1M | 0.74 | ![]() |
9HP![]() | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.73 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.71 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.71 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.71 | ![]() |
772![]() | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | A | 1O4H | 0.72 | ![]() |
DK1![]() | 5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID | A,B | 1PBQ | 0.73 | ![]() |
I4A![]() | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.7 | ![]() |
0AF![]() | 7-hydroxy-L-tryptophan | L | 1MAE | 0.71 | ![]() |
0AF![]() | 7-hydroxy-L-tryptophan | L | 1MAF | 0.71 | ![]() |
826![]() | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.73 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.7 | ![]() |
BRE![]() | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.76 | ![]() |
HQA![]() | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.79 | ![]() |
QND![]() | QUINALDIC ACID | A,B | 1IDA | 0.76 | ![]() |
HQC![]() | 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID | A | 1RWP | 0.73 | ![]() |
D3E![]() | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.71 | ![]() |
QNO![]() | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.72 | ![]() |
QNO![]() | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.72 | ![]() |
HQU![]() | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.8 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.72 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.72 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.72 | ![]() |
3HI![]() | (3R,5R)-7-[2-(4-fluorophenyl)-4- [(2-hydroxyphenyl)carbamoyl]-5- (1-methylethyl)-3-phenyl-1H-pyrrol- 1-yl]-3,5-dihydroxyheptanoic acid | B,C,D | 3CCT | 0.7 | ![]() |
238![]() | A | 2PRH | 0.72 | ![]() | |
BRF![]() | A | 1UUO | 0.76 | ![]() | |
P3F![]() | PHOSPHORIC ACID MONO-(5-HYDROXY- 6-METHYL-4-{[2-(2-TRIFLUOROMETHYL- BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}- PYRIDIN-3-YLMETHYL)ESTER | A,B | 2FQ6 | 0.74 | ![]() |
UN9![]() | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBT | 0.73 | ![]() |
UN9![]() | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBU | 0.73 | ![]() |
BMS![]() | A,B | 1DKF | 0.71 | ![]() | |
I08![]() | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE | A | 1SVH | 0.7 | ![]() |
IOK![]() | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.71 | ![]() |
R69![]() | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.71 | ![]() |
R69![]() | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.71 | ![]() |