Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02503654
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 |
C41![]() | ALISKIREN | C,O | 2V0Z | 0.72 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2QCI | 0.71 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2QD6 | 0.71 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2QD8 | 0.71 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2Z4O | 0.71 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2QD7 | 0.71 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 3ECG | 0.71 | ![]() |
FIL![]() | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.7 | ![]() |
DRS![]() | (9S,12S)-9-(1-methylethyl)-7,10- dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca- 1(16),14,17-triene-12-carboxylic acid | A,B | 3BXS | 0.73 | ![]() |
CN2![]() | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 1Z2B | 0.72 | ![]() |
CN2![]() | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 3DU7 | 0.72 | ![]() |
CN2![]() | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,D,F,G | 3EDL | 0.72 | ![]() |
CN2![]() | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 1SA0 | 0.72 | ![]() |
G05![]() | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin- 6-yl [(1S,2R)-1-benzyl-2-hydroxy- 3-{[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino}propyl]carbamate | A,B | 3DK1 | 0.7 | ![]() |
GGO![]() | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.71 | ![]() |
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 | 0.7 | ![]() |
ANM![]() | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.8 | ![]() |
ANM![]() | ANISOMYCIN | 0,1,3,9,A,B, C,F,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3CC4 | 0.8 | ![]() |
C61![]() | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.73 | ![]() |
HV8![]() | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.72 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.74 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.74 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.74 | ![]() |
GUM![]() | 4-METHYL-UMBELLIFERYL-N-ACETYL- CHITOBIOSE | A | 1BB7 | 0.75 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.75 | ![]() |
DJR![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL [(1S,2R)-1-BENZYL- 2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE | A | 2I4U | 0.71 | ![]() |
DJR![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL [(1S,2R)-1-BENZYL- 2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE | B | 2I4V | 0.71 | ![]() |
G55![]() | (5R)-1,3-dioxepan-5-yl [(1S,2R)- 1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino}propyl]carbamate | A,B | 3DJK | 0.72 | ![]() |
BAD![]() | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.7 | ![]() |
DPD![]() | A,B | 1QIW | 0.75 | ![]() | |
DPD![]() | A | 1QIV | 0.75 | ![]() | |
5RM![]() | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.83 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.76 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.76 | ![]() |