Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00451120
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 |
AGG![]() | TIROFIBAN | A,B | 2VDM | 0.72 | ![]() |
AP1![]() | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.73 | ![]() |
C41![]() | ALISKIREN | C,O | 2V0Z | 0.7 | ![]() |
C61![]() | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.72 | ![]() |
BHP![]() | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.76 | ![]() |
493![]() | {4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID | A | 1O49 | 0.7 | ![]() |
32P![]() | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.73 | ![]() |
0EZ![]() | tert-butyl [(1S,2S)-1-benzyl-2- hydroxy-3-{[(8S,11R)-8-[(1R)-1- methylpropyl]-7,10-dioxo-2-oxa- 6,9-diazabicyclo[11.2.2]heptadeca- 1(15),13,16-trien-11-yl]amino}propyl]carbamate | A,B | 1MTR | 0.75 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.73 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.73 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.73 | ![]() |
C18![]() | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.75 | ![]() |
4MU![]() | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.72 | ![]() |
177![]() | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.72 | ![]() |
ADF![]() | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 3-TERT-BUTYLBENZOIC ACID | A | 2G5P | 0.74 | ![]() |
941![]() | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO- 2-[4-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- PHENOXY)-MALONIC ACID | A | 1PYN | 0.78 | ![]() |
C1N![]() | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~- [3-FLUORO-1-(4-HYDROXYBENZYL)-2- OXOPROPYL]LEUCINAMIDE | A | 1ZCM | 0.7 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL2 | 0.72 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL1 | 0.72 | ![]() |
429![]() | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.77 | ![]() |
667![]() | 6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE | A | 1TTM | 0.76 | ![]() |
C17![]() | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.71 | ![]() |
BRZ![]() | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.71 | ![]() |