Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00799790
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 |
DBO | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.73 |  |
L1O | 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid | A | 2VIO | 0.73 | |
388 | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}- 5-CHLOROPHENOXY)ACETIC ACID | A | 2IKI | 0.76 | |
T76 | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL- 2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H- PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA- CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)- TETRONE | A,H | 1NT1 | 0.77 | |
LAZ | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 0.73 | |
GFA | 2-[4-chloro-2-(phenylcarbonyl)phenoxy]- N-phenylacetamide | A | 3DLE | 0.77 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDU | 0.74 | |
| 393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDC | 0.74 | |
| 393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDP | 0.74 | |
| 393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PZN | 0.74 | |
| 393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDJ | 0.74 | |
| 393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2IKJ | 0.74 | |
A5T | (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}- N-cyclopropyl-N-(2,3-dichlorobenzyl)- 3,9-diazabicyclo[3.3.1]non-6-ene- 6-carboxamide | A,B | 3G70 | 0.72 | |
14A | N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY- 3-CHLORO-N-CYCLOPENTYLBENZAMIDE | H,I | 1T4V | 0.79 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.72 | |
| 2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.72 | |
| 2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.72 | |
R36 | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.7 | |
L01 | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.73 | |
D56 | 4-(2-aminoethoxy)-N-(3-chloro-2- ethoxy-5-piperidin-1-ylphenyl)- 3,5-dimethylbenzamide | A | 2VIW | 0.72 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.74 | |
F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLM | 0.76 | |
| F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLF | 0.76 | |
| F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLE | 0.76 | |
3XH | 3-Hydroxyhippuric acid | A | 3E9K | 0.7 | |
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 | 0.71 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.7 | |
ACF | 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 4-CHLOROBENZOIC ACID | A | 2G5T | 0.73 | |
TN3 | 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)- N-METHYLBENZAMIDE | A,B | 1ZXB | 0.78 | |
DRR | A,B | 3BXR | 0.7 | | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.71 | |
PEM | 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]- 2-METHYLPROPIONIC ACID | A,B | 1IWH | 0.82 | |
TF3 | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.79 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.72 | |
YE6 | 5-(2-chlorophenyl)furan-2-carbohydrazide | A | 2P9A | 0.7 | |
| YE6 | 5-(2-chlorophenyl)furan-2-carbohydrazide | A | 2P99 | 0.7 | |
BN3 | 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID | A | 1WUY | 0.72 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.73 | |
B1L | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.7 | |
D24 | 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN- 5-YLAMINO-1-AMINOMETHYL]-PHEN-1- YL]FURAN | B | 1EEL | 0.7 | |
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 | 0.7 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.72 | |
C39 | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.71 | |
32P | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.71 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.7 | |
A7T | (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6- dichloro-4-methylphenoxy)ethoxy]phenyl}- N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non- 6-ene-6-carboxamide | A,B | 3G6Z | 0.7 | |
177 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.77 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.7 | |
D18 | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.71 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.73 | |
NM1 | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO- 3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN- 2-YLMETHYL)-N-METHYL-BENZAMIDE | B | 1G2K | 0.7 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.73 | |
| NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.73 | |
C40 | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.72 | |
A6T | (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}- N-cyclopropyl-N-(2,3-dichlorobenzyl)- 3,9-diazabicyclo[3.3.1]non-6-ene- 6-carboxamide | A,B | 3G72 | 0.72 | |
617 | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID | A | 2QE5 | 0.76 | |
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 | 0.71 | |
CS5 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QK5 | 0.71 | |
S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A | 2ZNN | 0.7 | |
| S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A,B | 2ZNO | 0.7 | |
D19 | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN | A | 289D | 0.7 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.71 | |
VG2 | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.75 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.73 | |
L1R | 4-(2-AMINOETHOXY)-3,5-DICHLORO- N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE | A | 2VIP | 0.78 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.72 | |