Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00323276
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 |
LNT | N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine | A,B,C | 3B80 | 0.73 | |
LNT | N-[(2S)-2-amino-1,1-dihydroxy-4- methylpentyl]-L-threonine | A,B,C | 3B7V | 0.73 | |
CDT | 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID | A,B | 1UF5 | 0.75 | |
CDV | 3-METHYL-2-UREIDO-BUTYRIC ACID | B | 1UF7 | 0.81 | |
NXA | N-CARBOXYALANINE | A | 2IUX | 0.72 | |
NXA | N-CARBOXYALANINE | A | 1O8A | 0.72 | |
DSE | N-METHYL-D-SERINE | C | 1CWH | 0.78 | |
DTH | D-THREONINE | A | 1KRO | 0.76 | |
DTH | D-THREONINE | A,B,C,D | 3BOG | 0.76 | |
DTH | D-THREONINE | A,B | 173D | 0.76 | |
DTH | D-THREONINE | A | 209D | 0.76 | |
DTH | D-THREONINE | A | 316D | 0.76 | |
DTH | D-THREONINE | A,B | 2Q33 | 0.76 | |
DTH | D-THREONINE | A | 2JUE | 0.76 | |
DTH | D-THREONINE | A | 2D55 | 0.76 | |
ZZU | (2S,3S)-HYDROXYARGININE | A | 2WBQ | 0.7 | |
ZZU | (2S,3S)-HYDROXYARGININE | A | 2WBP | 0.7 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B | 2Z26 | 0.78 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B | 1J79 | 0.78 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B | 1XGE | 0.78 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B | 2Z29 | 0.78 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B,G,H | 1R0C | 0.78 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B | 2Z27 | 0.78 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B | 2Z28 | 0.78 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B | 2Z2A | 0.78 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B | 2Z24 | 0.78 | |
NCD | N-CARBAMOYL-L-ASPARTATE | A,B | 2Z25 | 0.78 | |
AN0 | N-ACETYL-L-NORVALINE | C,D,E,X,Y,Z | 2G7M | 0.71 | |
AN0 | N-ACETYL-L-NORVALINE | A | 1ZQ8 | 0.71 | |
N10 | O-[(HEXYLAMINO)CARBONYL]-L-SERINE | A,B,C,D,E,F, G,H | 2Q0S | 0.71 | |
OLN | (S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID | A | 1YH1 | 0.73 | |
AYA | N-ACETYLALANINE | A | 1D0W | 0.7 | |
AYA | N-ACETYLALANINE | A | 1AH4 | 0.7 | |
AYA | N-ACETYLALANINE | A,B | 1VBP | 0.7 | |
AYA | N-ACETYLALANINE | A,B,C,D,E,F, G,H | 1J4T | 0.7 | |
AYA | N-ACETYLALANINE | A,B,C,D | 1OUW | 0.7 | |
AYA | N-ACETYLALANINE | A | 1AH3 | 0.7 | |
AYA | N-ACETYLALANINE | A | 1EKO | 0.7 | |
AYA | N-ACETYLALANINE | B,D,F,H | 2V4I | 0.7 | |
AYA | N-ACETYLALANINE | A,B,C,D,E,F, G,H | 1VBO | 0.7 | |
AYA | N-ACETYLALANINE | A,B,C,D | 1J4U | 0.7 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PPP | 0.71 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1PE6 | 0.71 | |
E6C | N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- 2-METHYL-BUTANE | A | 1ITO | 0.71 | |
C99 | {(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]- 2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN- 1-YL}ACETIC ACID | A | 2HCG | 0.75 | |
PT3 | N-PROPYL-TARTRAMIC ACID | A,B,C,D | 2HPA | 0.72 | |
NCB | N-CARBAMOYL-ALANINE | A,B,C,D,E,F, G,H,I,J | 1QMV | 0.8 | |
SAC | N-ACETYL-SERINE | A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z | 2EIL | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z | 2DYR | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z | 2EIM | 0.82 | |
SAC | N-ACETYL-SERINE | A | 1R4U | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D | 1WS3 | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D,E,F, G,H | 1XY3 | 0.82 | |
SAC | N-ACETYL-SERINE | A,B | 1EVU | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D,E,F, G,H | 1R56 | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z | 2DYS | 0.82 | |
SAC | N-ACETYL-SERINE | A | 1WRR | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z | 1V54 | 0.82 | |
SAC | N-ACETYL-SERINE | A,B | 3CVQ | 0.82 | |
SAC | N-ACETYL-SERINE | A | 1B0B | 0.82 | |
SAC | N-ACETYL-SERINE | A | 1XT4 | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z | 2EIJ | 0.82 | |
SAC | N-ACETYL-SERINE | A | 2FXL | 0.82 | |
SAC | N-ACETYL-SERINE | A | 1R4S | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D | 1WS2 | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D | 2AUC | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z | 2EIN | 0.82 | |
SAC | N-ACETYL-SERINE | A | 1R51 | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z | 1V55 | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,D | 1XXJ | 0.82 | |
SAC | N-ACETYL-SERINE | T | 2QAC | 0.82 | |
SAC | N-ACETYL-SERINE | A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z | 2EIK | 0.82 | |
CIR | CITRULLINE | A,B,C,D | 1J21 | 0.7 | |
CIR | CITRULLINE | B | 1KOD | 0.7 | |
CIR | CITRULLINE | A,B,C | 3B3I | 0.7 | |
CIR | CITRULLINE | C | 3DTX | 0.7 | |
CIR | CITRULLINE | A | 2C6Z | 0.7 | |
CIR | CITRULLINE | A,C,E,F | 2W65 | 0.7 | |
CIR | CITRULLINE | A,B | 2JAI | 0.7 | |
CIR | CITRULLINE | P | 3FT2 | 0.7 | |
CIR | CITRULLINE | A,B,C,D | 1J1Z | 0.7 | |
CIR | CITRULLINE | A,B | 1LXY | 0.7 | |
CIR | CITRULLINE | F,H | 1OL1 | 0.7 | |
CIR | CITRULLINE | A | 1KP3 | 0.7 | |
CIR | CITRULLINE | A | 2NZ2 | 0.7 | |
CIR | CITRULLINE | A | 1H70 | 0.7 | |
CIR | CITRULLINE | A | 1K97 | 0.7 | |
CIR | CITRULLINE | C | 3B6S | 0.7 | |
TH5 | O-acetyl-L-threonine | A,D,E,F,G,H | 2VZK | 0.73 | |
OLT | O-METHYL-L-THREONINE | A,B,C | 2AOC | 0.72 | |
OLT | O-METHYL-L-THREONINE | A,B,C | 2AOD | 0.72 | |
THC | N-METHYLCARBONYLTHREONINE | A,B,C | 1A7C | 0.9 | |
THC | N-METHYLCARBONYLTHREONINE | B | 2HR0 | 0.9 | |
THC | N-METHYLCARBONYLTHREONINE | L,P | 2MPA | 0.9 | |
THC | N-METHYLCARBONYLTHREONINE | L,P | 1MPA | 0.9 | |
ALO | ALLO-THREONINE | I,P | 1HDT | 0.76 | |
ALO | ALLO-THREONINE | A | 2JUU | 0.76 | |
ALO | ALLO-THREONINE | A | 2VMX | 0.76 | |
PCV | 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN- 1-YL)-PENTANOIC ACID | A | 1DRT | 0.72 | |
HY3 | 3-HYDROXYPROLINE | A,B,G | 2G66 | 0.7 |