Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00356189
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 |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.76 |  |
| PHL | L-PHENYLALANINOL | I | 3APR | 0.76 | |
| PHL | L-PHENYLALANINOL | A | 1DLZ | 0.76 | |
| PHL | L-PHENYLALANINOL | A | 1IH9 | 0.76 | |
| PHL | L-PHENYLALANINOL | A | 1OB4 | 0.76 | |
| PHL | L-PHENYLALANINOL | I | 2ER6 | 0.76 | |
| PHL | L-PHENYLALANINOL | A | 1R9U | 0.76 | |
| PHL | L-PHENYLALANINOL | A | 1OB7 | 0.76 | |
| PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.76 | |
| PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.76 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.8 | |
| G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.8 | |
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 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.76 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.71 | |
| GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.71 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.72 | |
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 | 0.76 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.71 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.7 | |
OIN | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 1TH6 | 0.74 | |
| OIN | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 2ARM | 0.74 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.75 | |
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 | 0.71 | |
VBZ | (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl- 2-aza-bicyclo[2.2.2]octane-4,7,8- triol | A,B | 2VO5 | 0.79 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.77 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.76 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.77 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.73 | |
| HPH | PHENYLALANINDIOL | A | 1ODW | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.73 | |
| HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.73 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1MU0 | 0.72 | |
| PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1XRL | 0.72 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.77 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.73 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.73 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.73 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.73 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.73 | |
| IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.73 | |
1ZN | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid | C,F,M,N | 2IAE | 0.71 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.75 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.73 | |
| SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.73 | |
DPK | DEPRENYL | A,B | 2BYB | 0.75 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.79 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.79 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.79 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.79 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.79 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.79 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.79 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.74 | |
| PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.74 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.79 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.79 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.79 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.79 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.79 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.79 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.79 | |
BAV | (3S,14R,16S)-16-[(1R)-1-hydroxy- 2-{[3-(1-methylethyl)benzyl]amino}ethyl]- 3,4,14-trimethyl-1,4-diazacyclohexadecane- 2,5-dione | A,B,C | 3DV5 | 0.73 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.73 | |
S13 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-(4-methylphenyl)-1,6-dioxa-2- azaspiro[4.5]decane-8,9,10-triol | A | 2QRQ | 0.7 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.76 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.78 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.78 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.71 | |