Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02250620
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 |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.85 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.77 | |
GB7 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)- 1-methylpyrrolidin-2-one | A | 3DDG | 0.73 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.77 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.77 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.77 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.77 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.77 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.77 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.77 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.85 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.78 | |
U16 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.7 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.74 | |
IGL | ALPHA-AMINO-2-INDANACETIC ACID | A | 1BDK | 0.71 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.77 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.74 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1MU0 | 0.74 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1XRL | 0.74 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.83 | |
PG9 | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.72 | |
PG9 | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.72 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.72 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.7 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.7 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.7 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.7 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.7 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.75 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.71 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.71 | |
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 | 0.72 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.7 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.7 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.7 | |
FOG | (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid | I | 1EED | 0.7 | |
CLK | ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL | A | 1GRQ | 0.7 | |
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 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.7 | |
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 | 0.74 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.78 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.78 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.78 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.78 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.78 | |
GB6 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin- 2-one | A | 3DDF | 0.75 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.76 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.84 | |
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 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.78 | |
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 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.72 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.7 | |
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 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.84 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.76 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.71 | |
15M | (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY- 2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT- 1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT- 5-ENAMIDE | A | 2F38 | 0.72 | |
VAC | N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | B | 4PHV | 0.76 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | I | 1EPL | 0.7 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | A,B,C,D | 2IFW | 0.7 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | E,I | 1EPM | 0.7 | |
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 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.71 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.72 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.77 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.77 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.79 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.71 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.71 | |
BLL | (2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'- BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO- 1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE | B | 1WBM | 0.73 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.76 |