Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02231397
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 |
K30 | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)- 3-fluoro-1-methylpiperidin-4-yl]- 2-(hydroxymethyl)-N-methyl-2-phenyl- 2,5-dihydro-1H-pyrrole-1-carboxamide | A,B | 3CJO | 0.74 |  |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.77 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.71 | |
| PHL | L-PHENYLALANINOL | I | 3APR | 0.71 | |
| PHL | L-PHENYLALANINOL | A | 1DLZ | 0.71 | |
| PHL | L-PHENYLALANINOL | A | 1IH9 | 0.71 | |
| PHL | L-PHENYLALANINOL | A | 1OB4 | 0.71 | |
| PHL | L-PHENYLALANINOL | I | 2ER6 | 0.71 | |
| PHL | L-PHENYLALANINOL | A | 1R9U | 0.71 | |
| PHL | L-PHENYLALANINOL | A | 1OB7 | 0.71 | |
| PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.71 | |
| PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.71 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.75 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.72 | |
| NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.72 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.7 | |
| DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.7 | |
| DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.7 | |
| DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.7 | |
HTQ | HOMOTROPINE | A,B,C | 2DQZ | 0.71 | |
| HTQ | HOMOTROPINE | A,B,C,D,E,F | 1MX5 | 0.71 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.75 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.71 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.71 | |
BS2 | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11- DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE | A,D,E | 2W8G | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.76 | |
| SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.76 | |
| SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.76 | |
DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | B | 1BVG | 0.76 | |
| DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | B | 1MES | 0.76 | |
| DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | A | 1MET | 0.76 | |
| DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | A,B | 1QBS | 0.76 | |
| DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | B | 1BVE | 0.76 | |
| DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | A | 1MEU | 0.76 | |
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.74 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.74 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.74 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.74 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.74 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.74 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.74 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.77 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.72 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.72 | |
| OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.72 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.7 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.7 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.76 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.7 | |
| ALE | L-EPINEPHRINE | A | 2HKK | 0.7 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.72 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.72 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.72 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.72 | |
| OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.74 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.74 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.74 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.74 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.74 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.74 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.74 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.76 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.73 | |
| G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.71 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.76 | |
| HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.76 | |
BS1 | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.73 | |
Q82 | {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS(4-HYDROXYMETHYL)METHYL]- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN- 2-YLIDENE]CYANAMIDE} | B | 1HVH | 0.74 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.75 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.71 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.8 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.71 | |
4BZ | 4-(HYDROXYMETHYL)BENZAMIDINE | A | 1S6H | 0.71 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.7 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.73 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.73 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.76 | |
VBZ | (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl- 2-aza-bicyclo[2.2.2]octane-4,7,8- triol | A,B | 2VO5 | 0.72 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.7 | |
216 | [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO- 5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7- BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE | B | 1HWR | 0.74 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.7 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.78 | |
| SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.78 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.73 | |