Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00516891
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 |
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 | 0.73 | ![]() |
R71![]() | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.73 | ![]() |
R71![]() | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.73 | ![]() |
2FF![]() | (5-(aminomethyl)-2H-spiro[benzofuran- 3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan- 2-yl)methanone | A,B,C,D | 2ZA5 | 0.84 | ![]() |
K55![]() | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.72 | ![]() |
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 | 0.72 | ![]() |
388![]() | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}- 5-CHLOROPHENOXY)ACETIC ACID | A | 2IKI | 0.71 | ![]() |
R37![]() | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.71 | ![]() |
11M![]() | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen- 1-yl]carbonyl}spiro[1-benzofuran- 3,4'-piperidin]-5-yl)methanamine | A,B,C,D | 2ZEB | 0.71 | ![]() |
FLE![]() | FUROYL-LEUCINE | A,B | 3DSL | 0.76 | ![]() |
FLE![]() | FUROYL-LEUCINE | A | 3AIG | 0.76 | ![]() |
FLE![]() | FUROYL-LEUCINE | I,P | 2AIG | 0.76 | ![]() |
5CN![]() | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I1M | 0.72 | ![]() |
5CN![]() | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I0Y | 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 | ![]() |
F6F![]() | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLM | 0.71 | ![]() |
F6F![]() | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLF | 0.71 | ![]() |
F6F![]() | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLE | 0.71 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.77 | ![]() |
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 | ![]() |
PH9![]() | (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]- 3-[4-(2-BROMOPHENOXY)PHENYL]PROP- 2-ENOIC ACID | A | 1Z4U | 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 | 0.71 | ![]() |
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,B | 2ZNO | 0.71 | ![]() |
R02![]() | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE | A,B,C | 1H37 | 0.73 | ![]() |
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 | 0.74 | ![]() |
D55![]() | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.7 | ![]() |
4MP![]() | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.71 | ![]() |
CC1![]() | {4-[2-ACETYLAMINO-2-(3-CARBAMOYL- 2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO- 5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)- ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID | A,B | 1FBZ | 0.7 | ![]() |
177![]() | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.7 | ![]() |
MFN![]() | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHK | 0.76 | ![]() |
MFN![]() | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHJ | 0.76 | ![]() |
L75![]() | N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)- PHENYLMETHYL-4(S)-HYDROXY-5-[4- [2-BENZOFURANYLMETHYL]-2(S)-[TERT- BUTYLAMINOCARBONYL]-PIPERAZINYL]- PENTANEAMIDE | B | 1C70 | 0.73 | ![]() |
CC0![]() | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL- 4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}- ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID | A | 1IJR | 0.7 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.72 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.72 | ![]() |
C40![]() | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.73 | ![]() |
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 | 0.72 | ![]() |
D18![]() | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.71 | ![]() |
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 | 0.74 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.7 | ![]() |
DEO![]() | A,B | 1ROS | 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 | ![]() |
NHN![]() | A,C | 2GVF | 0.71 | ![]() | |
R88![]() | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.72 | ![]() |
DRR![]() | A,B | 3BXR | 0.71 | ![]() | |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 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 | 0.71 | ![]() |
PH7![]() | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]- 2-PROPENOIC ACID | A | 1YVF | 0.73 | ![]() |
R19![]() | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.71 | ![]() |
ADF![]() | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 3-TERT-BUTYLBENZOIC ACID | A | 2G5P | 0.72 | ![]() |