Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03030101
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 |
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 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.81 | |
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 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.7 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.7 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.81 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.81 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.81 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.81 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.81 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1MU0 | 0.73 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1XRL | 0.73 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.73 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.78 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.78 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.78 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.78 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.78 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.78 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.78 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.72 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.7 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.73 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.73 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.78 | |
DPK | DEPRENYL | A,B | 2BYB | 0.76 | |
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 | |
FRF | PHE-REDUCED-PHE | A,I | 1GVX | 0.75 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXI | 0.7 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXH | 0.7 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXJ | 0.7 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.71 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.71 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.77 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.73 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HIH | 0.72 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HII | 0.72 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.72 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.72 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 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 | 0.73 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.72 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.71 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.71 | |
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 | 0.72 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.8 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.8 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.8 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.8 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.8 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.8 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.8 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.8 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.7 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.7 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.78 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.8 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.8 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.8 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.8 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.8 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.8 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.8 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.71 | |
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 | 0.75 |