Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255884
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 |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.75 | |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.7 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.71 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.71 | |
NHR | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID | A,B | 1C3E | 0.7 | |
7CK | 7-carboxy-5-hydroxy-12,13-dihydro- 6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole | A,B | 2R0G | 0.72 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.71 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.82 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.82 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.82 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.82 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.82 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.82 | |
FIC | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.77 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.75 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.77 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.77 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.7 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.7 | |
LG2 | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.74 | |
PXG | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.73 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.7 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.79 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.81 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.81 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.81 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.75 | |
CLI | 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID | A,F | 1LEV | 0.71 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.75 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.75 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.75 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.75 | |
ONO | 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)- 6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL- 2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID | A | 2AYW | 0.71 | |
UN9 | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBT | 0.78 | |
UN9 | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBU | 0.78 | |
DPY | A,B | 1JES | 0.74 | ||
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.73 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.76 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.76 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.76 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.76 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.73 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.7 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.91 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.74 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.74 | |
238 | A | 2PRH | 0.75 | ||
BMS | A,B | 1DKF | 0.71 | ||
4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G19 | 0.76 | |
4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G1M | 0.76 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.88 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.74 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.74 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.74 | |
TRO | 2-HYDROXY-TRYPTOPHAN | A | 1KB0 | 0.73 | |
TRO | 2-HYDROXY-TRYPTOPHAN | A | 1G3P | 0.73 | |
BRF | A | 1UUO | 0.79 | ||
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.76 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.76 | |
772 | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | A | 1O4H | 0.71 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.72 | |
DK1 | 5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID | A,B | 1PBQ | 0.83 |