Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03572460
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 | ![]() |
098![]() | (3R)-N~2~-(cyclopropylmethyl)-N~1~- hydroxy-3-(3-hydroxybenzyl)-N~4~- [(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]-L-aspartamide | A,B | 3HY9 | 0.72 | ![]() |
MOY![]() | [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE | A,B | 2IEH | 0.73 | ![]() |
K55![]() | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.72 | ![]() |
BD2![]() | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.74 | ![]() |
3XH![]() | 3-Hydroxyhippuric acid | A | 3E9K | 0.75 | ![]() |
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 | 0.7 | ![]() |
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 | 0.74 | ![]() |
DK2![]() | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.74 | ![]() |
ECA![]() | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.73 | ![]() |
IFB![]() | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.74 | ![]() |
EB4![]() | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo- 1,5,9-trioxacyclododecane-3,7,11- triyl]tris(2,3-dihydroxybenzamide) | A,B,C | 3CMP | 0.77 | ![]() |
TAC![]() | TETRACYCLINE | A,B,C,D,E,F, G,H,I,J,K,L | 2HDN | 0.7 | ![]() |
TAC![]() | TETRACYCLINE | A | 2VKE | 0.7 | ![]() |
TAC![]() | TETRACYCLINE | A | 2TRT | 0.7 | ![]() |
TAC![]() | TETRACYCLINE | B | 2UXO | 0.7 | ![]() |
TAC![]() | TETRACYCLINE | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I97 | 0.7 | ![]() |
TAC![]() | TETRACYCLINE | A,D,H,N | 1HNW | 0.7 | ![]() |
TAC![]() | TETRACYCLINE | A,B | 2HCJ | 0.7 | ![]() |
R36![]() | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.7 | ![]() |
SB8![]() | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.71 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.71 | ![]() |
DXT![]() | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)- 3,5,10,12,12A-PENTAHYDROXY-6-METHYL- 1,11-DIOXO-1,4,4A,5,5A,6,11,12A- OCTAHYDROTETRACENE-2-CARBOXAMIDE | A | 2O7O | 0.72 | ![]() |
DBO![]() | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.7 | ![]() |
AJH![]() | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]- 1,4-diazepan-1-yl}carbonyl)benzoic acid | A,B | 3EIO | 0.72 | ![]() |
NHN![]() | A,C | 2GVF | 0.7 | ![]() | |
JE2![]() | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | A,B | 1KZK | 0.75 | ![]() |
JE2![]() | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | B | 1MSM | 0.75 | ![]() |
JE2![]() | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | A,B | 2ANL | 0.75 | ![]() |
JE2![]() | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | B | 1MSN | 0.75 | ![]() |
CS5![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QK5 | 0.77 | ![]() |
ARY![]() | ARYLOMYCIN A2 | A,B | 1T7D | 0.7 | ![]() |
PY9![]() | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.73 | ![]() |
AI1![]() | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.72 | ![]() |
CS7![]() | N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN- 2-YL]-1-(3,5-DIFLUOROBENZYL)-2- HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMD | 0.72 | ![]() |
BFS![]() | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A | 1STD | 0.72 | ![]() |
BFS![]() | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A,B,C | 4STD | 0.72 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.76 | ![]() |
401![]() | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.72 | ![]() |
Y13![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.71 | ![]() |
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 | ![]() |
K57![]() | 3-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL-BUTYRYL]- 5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT- BUTYLAMIDE | B | 1MRX | 0.76 | ![]() |
K57![]() | 3-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL-BUTYRYL]- 5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT- BUTYLAMIDE | A | 1MRW | 0.76 | ![]() |
LOB![]() | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.72 | ![]() |
DEO![]() | A,B | 1ROS | 0.71 | ![]() | |
IFA![]() | A,B | 3FC8 | 0.74 | ![]() | |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 1L6M | 0.75 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3CBC | 0.75 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3BY0 | 0.75 | ![]() |
HBZ![]() | N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN7 | 0.71 | ![]() |
B1L![]() | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.74 | ![]() |
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 | 0.77 | ![]() |
C40![]() | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.7 | ![]() |