Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03376539
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 |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.73 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.73 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.73 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.73 | ![]() |
GB2![]() | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.73 | ![]() |
GB1![]() | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.72 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.72 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.72 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.72 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.72 | ![]() |
APD![]() | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.71 | ![]() |
007![]() | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.71 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.76 | ![]() |
TA2![]() | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.82 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.72 | ![]() |
LLG![]() | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.71 | ![]() |
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 | ![]() |
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 | 0.72 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.75 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.75 | ![]() |
BIF![]() | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.74 | ![]() |
BIF![]() | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.74 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.71 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.71 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.71 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.71 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.71 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.71 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.71 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.71 | ![]() |
PG9![]() | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.75 | ![]() |
PG9![]() | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.75 | ![]() |
4BZ![]() | 4-(HYDROXYMETHYL)BENZAMIDINE | A | 1S6H | 0.75 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.72 | ![]() |
B28![]() | A,B | 2E9A | 0.7 | ![]() | |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.71 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.71 | ![]() |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.74 | ![]() |
PDH![]() | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.82 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.7 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.76 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.76 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.76 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.76 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.76 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.76 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B | 1JOH | 0.82 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 3APR | 0.82 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1DLZ | 0.82 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1IH9 | 0.82 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB4 | 0.82 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 2ER6 | 0.82 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1R9U | 0.82 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB7 | 0.82 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B | 1OB6 | 0.82 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B,C | 1AMT | 0.82 | ![]() |
SOA![]() | ISATOIC ANHYDRIDE | A | 1BIO | 0.71 | ![]() |
MFD![]() | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.72 | ![]() |
HPH![]() | PHENYLALANINDIOL | I | 1E5O | 0.79 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 1ODX | 0.79 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 1MTB | 0.79 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 2FGV | 0.79 | ![]() |
HPH![]() | PHENYLALANINDIOL | A | 1ODW | 0.79 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 2FGU | 0.79 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 1HXB | 0.79 | ![]() |
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 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.72 | ![]() |
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 | ![]() |
CTL![]() | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.8 | ![]() |
B08![]() | A,B | 2E99 | 0.71 | ![]() | |
COR![]() | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.83 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.71 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.71 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.71 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.71 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.71 | ![]() |
GB3![]() | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.72 | ![]() |
TBC![]() | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.72 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.73 | ![]() |
ABN![]() | BENZYLAMINE | D,H | 2HXC | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A,I | 1A86 | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTN | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6X | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 2BZA | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 2EUS | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6Y | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTJ | 0.72 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.71 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.71 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.71 | ![]() |
TTL![]() | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.8 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.79 | ![]() |
1PA![]() | PHENYLMETHYLACETIC ACID ALANINE | I | 1BHF | 0.71 | ![]() |