Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03644261
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 |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.72 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.72 | |
SC6 | N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN- 2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN- 1-YL]CARBONYL}-5-METHYLBENZAMIDE | A,B | 2QMG | 0.71 | |
DK2 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.74 | |
DEO | A,B | 1ROS | 0.74 | ||
CS5 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QK5 | 0.74 | |
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 | |
1BH | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 0.7 | |
ILB | A | 2FPT | 0.73 | ||
L01 | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.73 | |
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 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.72 | |
099 | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)- N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]butanediamide | A,B | 3HYG | 0.7 | |
4CR | (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)- N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN- 1-AMINIUM | A,B | 2C65 | 0.73 | |
CS9 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN- 2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMF | 0.72 | |
PI1 | A,B | 1B6J | 0.7 | ||
PI8 | N-13-[(10S,13S)-9,12-DIOXO-10-(2- BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA- 15,17,18-TRIENE] (2R)-BENZYL-(4S)- HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY- (2S)-INDANEAMIDE | A,B | 1D4K | 0.75 | |
ILH | A | 2FQI | 0.73 | ||
AAY | 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)- 6-METHOXY-2-NAPHTHYL]METHYL}-6- OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL- 1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL 2-METHYLBUTANOATE | A,B | 1XDD | 0.71 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.72 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.72 | |
997 | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO- PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY- PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4- TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | A | 1TFT | 0.73 | |
HV8 | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.8 | |
DX9 | (2S)-3-(7-carbamimidoylnaphthalen- 2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin- 3-yl}oxy)phenyl]propanoic acid | A | 1FAX | 0.71 | |
DX9 | (2S)-3-(7-carbamimidoylnaphthalen- 2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin- 3-yl}oxy)phenyl]propanoic acid | A | 1MTW | 0.71 | |
MR0 | N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- N~1~,N~1~-DIPROPYLBENZENE-1,3,5- TRICARBOXAMIDE | A,B,C | 2P83 | 0.74 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.74 | |
REN | (S)-reticuline | A | 3FWA | 0.76 | |
REN | (S)-reticuline | A | 3D2D | 0.76 | |
TOL | TOLRESTAT | A | 2PDL | 0.83 | |
TOL | TOLRESTAT | A | 2FZD | 0.83 | |
TOL | TOLRESTAT | A | 2FZB | 0.83 | |
TOL | TOLRESTAT | A | 1AH3 | 0.83 | |
TOL | TOLRESTAT | X | 1ZUA | 0.83 | |
TOL | TOLRESTAT | A | 1AE4 | 0.83 | |
HA2 | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.71 | |
965 | (3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2- DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID | A,B,D | 1PQ6 | 0.73 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.76 | |
XN2 | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)- PENTANAMIDE | A,B | 1K6V | 0.71 | |
3FT | A | 2BXV | 0.72 | ||
296 | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.77 | |
ANM | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.74 | |
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 | 0.74 | |
NHN | A,C | 2GVF | 0.71 | ||
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.74 | |
DCH | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.73 | |
DPD | A,B | 1QIW | 0.7 | ||
DPD | A | 1QIV | 0.7 | ||
XN3 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1K6P | 0.71 | |
PI5 | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14- TRIEN-11-YLAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL)- PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN- 1-YL)-BUTYRAMIDE | A,B | 1B6K | 0.7 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.7 |