Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01089242
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 |
ZY3![]() | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 6-(ETHYLAMINO)-1-METHYL-1,3,4,5- TETRAHYDRO-2,1-BENZOTHIAZEPINE- 8-CARBOXAMIDE 2,2-DIOXIDE | A | 2WF3 | 0.72 | ![]() |
MIY![]() | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)- 3,10,12,12A-TETRAHYDROXY-1,11-DIOXO- 1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE- 2-CARBOXAMIDE | A | 2DRD | 0.72 | ![]() |
TAV![]() | N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]- 5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}- L-ASPARTIC ACID | A,B,C,D | 1YBG | 0.75 | ![]() |
DY6![]() | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.74 | ![]() |
UNB![]() | N-(4-CARBAMIMIDOYL-BENZYL)-2-[2- HYDROXY-6-METHYL-3-(NAPHTHALENE- 1-SULFONYLAMINO)-PHENYL]-ACETAMIDE | A,B | 2BDY | 0.75 | ![]() |
968![]() | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.72 | ![]() |
421![]() | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.75 | ![]() |
ATC![]() | 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY- 6-DEMETHYL-TETRACYCLINE | A | 1ORK | 0.73 | ![]() |
MIX![]() | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)- 9,10-ANTHRACENEDIONE | A,B,C,D | 2FUM | 0.73 | ![]() |
ZY2![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 8-ethyl-1-methyl-3,4-dihydro-1H,8H- [1,2,5]thiadiazepino[5,4,3-de]quinoxaline- 10-carboxamide 2,2-dioxide | A | 2WF2 | 0.71 | ![]() |
A84![]() | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID | A | 1YW9 | 0.7 | ![]() |
367![]() | 3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]- 1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE | A | 1ZRK | 0.71 | ![]() |
NAB![]() | A,B | 1SRJ | 0.71 | ![]() | |
709![]() | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.77 | ![]() |
989![]() | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.72 | ![]() |
DDT![]() | N,O-DIDANSYL-L-TYROSINE | A,B | 1JG0 | 0.73 | ![]() |
N3P![]() | N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE- 2-CARBOXAMIDE | A,B,C,D | 2OT1 | 0.72 | ![]() |
515![]() | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2- CARBOXYPHENYL)AMINO]-1-NAPHTHYL}- L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID | A | 1NNY | 0.71 | ![]() |
SVR![]() | A | 3GAN | 0.7 | ![]() | |
SVR![]() | A,B | 2NYR | 0.7 | ![]() | |
SVR![]() | H | 2H9T | 0.7 | ![]() | |
SVR![]() | A,B | 1Y4L | 0.7 | ![]() | |
SVR![]() | A,B,C,E,F,G,H | 3BJW | 0.7 | ![]() | |
SVR![]() | A,B | 1Y8E | 0.7 | ![]() | |
SVR![]() | H | 3BF6 | 0.7 | ![]() | |
BSD![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 5-[methyl(methylsulfonyl)amino]- N'-[(1R)-1-phenylethyl]benzene- 1,3-dicarboxamide | A,B,C,D | 2VKM | 0.73 | ![]() |