Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02466171
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 |
C80 | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1- BENZYL-1H-INDOLE-3-CARBOXYLATE | C,O | 2V11 | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.73 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.73 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.73 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.73 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.73 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.73 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.73 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.73 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.73 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.73 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.73 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.73 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.73 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.73 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.73 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.72 | |
ONA | A,C | 2GVZ | 0.71 | ||
ARH | 3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE | A,B,C,D | 1H69 | 0.71 | |
627 | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2J50 | 0.7 | |
627 | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2V7A | 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 | 0.75 | |
T19 | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.71 | |
NNR | Nicotinamide riboside | A | 2QT0 | 0.79 | |
NNR | Nicotinamide riboside | A | 2QT1 | 0.79 | |
MS3 | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [VALINYL-AMINOMETHANYL-PYRIDINE] | A | 1EC3 | 0.71 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QSZ | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1TA8 | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1HYB | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAA | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA9 | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUP | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUS | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1Y1P | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C,D,E,F | 2GVG | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA8 | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAB | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZK | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C | 1GZU | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2H3D | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2G96 | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QG6 | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1ISJ | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZJ | 0.76 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2HCT | 0.76 | |
INP | 4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | A | 1AU4 | 0.7 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.73 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.73 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.73 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.73 | |
DRY | [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}- 1H-INDOL-5-YL)OXY]ACETIC ACID | A | 2HWQ | 0.7 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.7 | |
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.71 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.75 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.75 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.75 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.83 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.83 | |
DPY | A,B | 1JES | 0.73 | ||
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.82 | |
BEJ | N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]- GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | B | 1EC2 | 0.71 | |
P10 | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.74 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.72 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.7 | |
DRP | 2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE | A,B | 1JES | 0.73 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.7 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.7 |