Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022157
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 |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.8 | |
DGH | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.72 | |
DGH | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.72 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.74 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.7 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.95 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1GAF | 0.71 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1AJ7 | 0.71 | |
MR2 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSM | 0.71 | |
BIE | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | A,B | 2CL5 | 0.74 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.81 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.7 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.7 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.7 | |
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.77 | |
P28 | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.73 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.7 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.7 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.82 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A,B | 1IVD | 0.74 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A | 1IVB | 0.74 | |
2AC | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.71 | |
2AC | 2-AMINO-P-CRESOL | A | 1L4M | 0.71 | |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.82 | |
TYQ | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6Y | 0.75 | |
TYQ | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6U | 0.75 | |
GHP | 4-HYDROXYPHENYLGLYCINE | A | 1DSR | 0.72 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.7 | |
MHB | A,B | 1SRG | 0.71 | ||
3HA | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.72 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.72 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.72 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.72 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.72 | |
TNF | PICRIC ACID | A | 1GVS | 0.77 | |
TNF | PICRIC ACID | X | 1VYP | 0.77 | |
TNF | PICRIC ACID | A | 1VYR | 0.77 | |
TNF | PICRIC ACID | X | 1VYS | 0.77 | |
BRS | 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6- DINITRO-PHENOL | A,B,D,M,N,O,P | 1KFY | 0.75 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A | 1DSR | 0.72 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.72 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.72 | |
DNC | 3,5-DINITROCATECHOL | A | 3BWY | 0.75 | |
DNC | 3,5-DINITROCATECHOL | A | 3BWM | 0.75 | |
DNC | 3,5-DINITROCATECHOL | A | 1VID | 0.75 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.71 | |
DMB | A,B | 1SRI | 0.71 | ||
NPC | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.83 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.72 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.71 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.71 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.71 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B16 | 0.77 | |
DNF | 2,4-DINITROPHENOL | H,J,L,N | 1OAU | 0.77 | |
DNF | 2,4-DINITROPHENOL | A | 1GVO | 0.77 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B15 | 0.77 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B14 | 0.77 | |
LVS | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL- LEUCINYL-LEUCINYL-VINYLSULFONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X | 1KYI | 0.71 | |
LVS | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL- LEUCINYL-LEUCINYL-VINYLSULFONE | A,B,C,G,H,I, L,M,N | 1OFI | 0.71 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.8 | |
HAB | A,B | 1SRE | 0.71 | ||
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.77 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.78 | |
ANX | 2,5-DINITROPHENOL | A,B,C,D,E,F, G,H | 2BFG | 0.75 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.87 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.87 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.87 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.87 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.87 | |
NIP | 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION | H | 1A6W | 0.83 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.72 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.72 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.72 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.72 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.72 |