Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02203487
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 |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.74 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.71 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.71 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.71 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.73 | ![]() |
8ST![]() | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.71 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.74 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.74 | ![]() |
PRC![]() | N-[4-METHYL-3-[[4-(3-PYRIDINYL)- 2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE | A,B | 1FPU | 0.7 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.71 | ![]() |
PD8![]() | PHOSPHORYLATED DIHYDROPTEROATE | A | 1W78 | 0.7 | ![]() |
608![]() | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.76 | ![]() |
FXV![]() | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.75 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.71 | ![]() |
P10![]() | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.76 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.81 | ![]() |
S91![]() | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.72 | ![]() |
S91![]() | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.72 | ![]() |
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 | 0.75 | ![]() |
AXD![]() | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.71 | ![]() |
D2G![]() | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.71 | ![]() |
P5C![]() | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.7 | ![]() |
G44![]() | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.71 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.7 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.74 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.74 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.74 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.74 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.81 | ![]() |
T19![]() | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.8 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.8 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.72 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.71 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.71 | ![]() |
7CS![]() | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE | A | 2QHM | 0.72 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.72 | ![]() |
D3G![]() | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.72 | ![]() |
4PP![]() | C,L | 1XKA | 0.74 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.74 | ![]() | |
IHZ![]() | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.7 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.74 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.74 | ![]() |
24X![]() | H,L | 2EC9 | 0.74 | ![]() | |
INP![]() | 4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | A | 1AU4 | 0.74 | ![]() |