Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02125742
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 |
MOY | [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE | A,B | 2IEH | 0.73 | |
1BA | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE | A | 2GPP | 0.72 | |
VRV | 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO- 4-PHENYL-1,2-DIHYDROPYRIDINE-3- CARBONITRILE | A | 2OBJ | 0.75 | |
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 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.76 | |
3XH | 3-Hydroxyhippuric acid | A | 3E9K | 0.74 | |
L01 | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.72 | |
REN | (S)-reticuline | A | 3FWA | 0.7 | |
REN | (S)-reticuline | A | 3D2D | 0.7 | |
CTA | CYCLOTHEONAMIDE A | A | 1TYN | 0.71 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.73 | |
ALE | L-EPINEPHRINE | A | 2HKK | 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 | 0.7 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 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 | 0.7 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.73 | |
TI2 | (2-SULFANYL-3-PHENYLPROPANOYL)- PHE-TYR | A | 1QF0 | 0.72 | |
TYP | CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR | A,B | 1W1Y | 0.73 | |
UA1 | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4H | 0.7 | |
UA1 | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4G | 0.7 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.74 | |
LDP | L-DOPAMINE | A | 5PAH | 0.74 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.74 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.74 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1RNR | 0.72 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A | 6PAH | 0.72 | |
DAH | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1IVV | 0.72 | |
ZYA | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.74 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.71 | |
IFB | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.72 | |
OI1 | 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4- HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]- 4-OXO-3,6,11,11A-TETRAHYDRO-4H- PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM- 1-OLATE | A,B | 1Q9D | 0.71 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.7 | |
CRV | N-[1-(AMINOMETHYL)CYCLOPROPYL]- 3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2- TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]- L-ALANINAMIDE | A,B | 2FRA | 0.72 | |
CMQ | N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)- 2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]- L-LEUCINAMIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2FZS | 0.73 | |
ECA | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.78 | |
TY3 | 3-HYDROXY-L-TYROSINE | A,B | 2VH3 | 0.72 | |
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 | 0.76 | |
YTT | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.78 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.73 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.73 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.72 | |
IFA | A,B | 3FC8 | 0.72 | ||
B1L | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.7 | |
0E4 | N-acetyl-L-tyrosyl-L-valyl-L-alanyl- L-aspartic acid | B,D | 3GJS | 0.71 | |
PY9 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.71 | |
843 | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE | A | 1O42 | 0.72 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.74 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3C | 0.71 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3E | 0.71 | |
TYC | L-TYROSINAMIDE | A | 2BF9 | 0.72 | |
TYC | L-TYROSINAMIDE | A | 2OCI | 0.72 | |
IYG | N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINE | A | 1OPM | 0.71 | |
BFS | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A | 1STD | 0.74 | |
BFS | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A,B,C | 4STD | 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 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.7 | |
LNR | L-NOREPINEPHRINE | A | 3DYE | 0.7 | |
LNR | L-NOREPINEPHRINE | A | 4PAH | 0.7 | |
C1N | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~- [3-FLUORO-1-(4-HYDROXYBENZYL)-2- OXOPROPYL]LEUCINAMIDE | A | 1ZCM | 0.72 | |
SD2 | N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDE | A,B | 1PWQ | 0.7 | |
ARY | ARYLOMYCIN A2 | A,B | 1T7D | 0.71 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.9 | |
NLT | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.75 |