Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03142386
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 |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.76 | |
985 | (2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid | A | 3F2A | 0.74 | |
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 | 0.73 | |
4QB | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID | A | 1RWN | 0.71 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B,C,D,E,F | 1KQO | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 2H29 | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 1NUQ | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A | 1WXG | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B,C,D,E,F | 1KAQ | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 1EE1 | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B,C,D | 3E27 | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A | 1XQD | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 2H2A | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 1IFX | 0.7 | |
DND | NICOTINIC ACID ADENINE DINUCLEOTIDE | A,B | 1XNG | 0.7 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.73 | |
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.76 | |
JNK | N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'- BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE | X | 2EXC | 0.73 | |
G44 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.71 | |
FE1 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN- 6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE- 4-CARBOXYLATE | A,B,C,D | 2QHX | 0.71 | |
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 | |
AXD | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.74 | |
3BD | 7-amino-2-tert-butyl-4-(4-pyrimidin- 2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine- 6-carboxamide | A | 3BAB | 0.73 | |
B14 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'- DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)- QUINAZOLINE]-4'-AMINE | A,B | 3E7T | 0.72 | |
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 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.71 | |
MPZ | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]- N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]PHENYL}BENZAMIDE | A | 1Y57 | 0.72 | |
APT | 2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)- METHYL]-4-HYDROXY-PTERIDIN-1-IUM | A,B | 1QCJ | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.73 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.73 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.73 | |
24X | H,L | 2EC9 | 0.74 |