Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02900315
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 |
UA4![]() | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2-METHYL-2H-1,4- BENZOXAZIN-3(4H)-ONE | A,B | 2I4Q | 0.73 | ![]() |
CND![]() | 5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE | A,B | 1ADB | 0.7 | ![]() |
35A![]() | N-[(5R,14R)-5-AMINO-5,14-DIMETHYL- 4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA- 1(21),7(22),8,10,17,19-HEXAEN-19- YL]-N-METHYLMETHANESULFONAMIDE | A | 2PH8 | 0.72 | ![]() |
OQB![]() | 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-METHYL}-PYRIDINE- 3-CARBONYL)-AMINO]-BUTYRIC ACID | A | 1RWW | 0.72 | ![]() |
PD8![]() | PHOSPHORYLATED DIHYDROPTEROATE | A | 1W78 | 0.7 | ![]() |
8AD![]() | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.71 | ![]() |
8AD![]() | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.71 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.77 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.77 | ![]() |
HPM![]() | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN- 1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN- 4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE | A,B | 2C6E | 0.7 | ![]() |
KT3![]() | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO- PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO- 1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}- GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID | A,B | 1RC1 | 0.71 | ![]() |
GK6![]() | N-{4'-[(cyclopropylmethyl)carbamoyl]- 6-methylbiphenyl-3-yl}-2-morpholin- 4-ylpyridine-4-carboxamide | A | 3D83 | 0.71 | ![]() |
NHR![]() | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID | A,B | 1C3E | 0.72 | ![]() |
PFQ![]() | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN- 4-YL)AMINO]ETHANOL | A | 2BRB | 0.73 | ![]() |
3B8![]() | 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3- b]pyridine-3-carboxamide | A | 3BA8 | 0.74 | ![]() |
4QB![]() | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID | A | 1RWN | 0.71 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFR | 0.71 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1DAJ | 0.71 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFQ | 0.71 | ![]() |
MOT![]() | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFP | 0.71 | ![]() |
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 | 0.71 | ![]() |
7AD![]() | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.71 | ![]() |
328![]() | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin- 1-yl}carbonyl)benzonitrile | A,B | 3EAI | 0.71 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.75 | ![]() |
447![]() | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.72 | ![]() |
9AD![]() | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.7 | ![]() |
9AD![]() | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1PJ6 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RD7 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1DHF | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B,C,D,E | 1QZF | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 4CD2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX7 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX8 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RA2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RE7 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 7DFR | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1VIF | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RB2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1CD2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 2CD2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1DYI | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1DRF | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B,C,D | 3BMC | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 2D0K | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RA8 | 0.7 | ![]() |
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 | ![]() |
L24![]() | [[[2-AMINO-5,6,7,8-TETRAHYDRO-4- HYDROXY-PYRIDO[2,3-D]PYRIMIDIN- 6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID | A,B | 1DIA | 0.73 | ![]() |
COP![]() | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHJ | 0.72 | ![]() |
COP![]() | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHK | 0.72 | ![]() |
1IQ![]() | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.75 | ![]() |
24X![]() | H,L | 2EC9 | 0.77 | ![]() | |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.72 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.72 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.72 | ![]() |
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 | ![]() |
IQA![]() | (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID | A | 1OM1 | 0.73 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.72 | ![]() |
DFY![]() | (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN- 4-YLAMINO)-ACETIC | A | 2BRG | 0.71 | ![]() |
4IG![]() | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN- 3(4H)-ONE | A,B | 2G1S | 0.72 | ![]() |
AT6![]() | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.71 | ![]() |
TIT![]() | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]- 3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)- L-VALYL]AMINO}PENTANOYL)-L-ALANYL- L-LEUCINAMIDE | A,B | 1W6H | 0.7 | ![]() |
THH![]() | N-[4-({[(6S)-2-AMINO-4-HYDROXY- 5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN- 6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID | A,B | 3DCJ | 0.7 | ![]() |
THH![]() | N-[4-({[(6S)-2-AMINO-4-HYDROXY- 5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN- 6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID | A,B | 1WSV | 0.7 | ![]() |
DRC![]() | 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]- 4-ACRIDINECARBOXAMIDE | A | 1KCI | 0.73 | ![]() |
3IG![]() | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1R | 0.72 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.72 | ![]() |
5IG![]() | 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL- 2H-1,4-BENZOXAZIN-3(4H)-ONE | A,B | 2G1Y | 0.73 | ![]() |
BI9![]() | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.72 | ![]() |
BIN![]() | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.7 | ![]() |
BIN![]() | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.7 | ![]() |
BIN![]() | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.7 | ![]() |
138![]() | A,B,C,D | 1JKX | 0.7 | ![]() | |
NIX![]() | NALIDIXIC ACID | A,B | 2BQ2 | 0.73 | ![]() |
PFP![]() | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3- D]PYRIMIDIN-4-YLAMINO]-ETHANOL | A | 2BR1 | 0.71 | ![]() |
P40![]() | N-cyclopropyl-4-methyl-3-{2-[(2- morpholin-4-ylethyl)amino]quinazolin- 6-yl}benzamide | A | 3DT1 | 0.7 | ![]() |
S91![]() | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.71 | ![]() |
S91![]() | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.71 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 | ![]() |
608![]() | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.73 | ![]() |
5HI![]() | (3R,5R)-7-[2-(4-fluorophenyl)-4- {[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}- 5-(1-methylethyl)-1H-imidazol-1- yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 3CCZ | 0.71 | ![]() |