Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01973573
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 |
178![]() | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.75 | ![]() |
OBP![]() | A,B | 2DE3 | 0.73 | ![]() | |
HSP![]() | 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID | A,B | 1CW2 | 0.8 | ![]() |
HF1![]() | 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)- BUTYLPHOSPHONIC ACID | A,B | 1C9D | 0.75 | ![]() |
IPH![]() | PHENOL | A,B | 2OLD | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2PZV | 0.7 | ![]() |
IPH![]() | PHENOL | A | 1LI2 | 0.7 | ![]() |
IPH![]() | PHENOL | A | 2J9N | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2OMB | 0.7 | ![]() |
IPH![]() | PHENOL | A | 1JHX | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2VE7 | 0.7 | ![]() |
IPH![]() | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1FOH | 0.7 | ![]() |
IPH![]() | PHENOL | A | 1V03 | 0.7 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 5AIY | 0.7 | ![]() |
IPH![]() | PHENOL | B,D,F,H,J,L | 1AIY | 0.7 | ![]() |
IPH![]() | PHENOL | A,B | 1XU5 | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.7 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 4AIY | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.7 | ![]() |
IPH![]() | PHENOL | A | 2AS3 | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1ZEG | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1PN0 | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1XW7 | 0.7 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1Q4V | 0.7 | ![]() |
IPH![]() | PHENOL | B | 1AI7 | 0.7 | ![]() |
IPH![]() | PHENOL | A | 1FJW | 0.7 | ![]() |
IPH![]() | PHENOL | B,C,D | 1RWE | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.7 | ![]() |
IPH![]() | PHENOL | B,C,D | 3GKY | 0.7 | ![]() |
IPH![]() | PHENOL | A | 1JHY | 0.7 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 3AIY | 0.7 | ![]() |
IPH![]() | PHENOL | A,B | 2OMN | 0.7 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 2AIY | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,D | 1MPJ | 0.7 | ![]() |
IPH![]() | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.7 | ![]() |
IPH![]() | PHENOL | B,C,D | 1LPH | 0.7 | ![]() |
CAQ![]() | CATECHOL | B | 2BUY | 0.76 | ![]() |
CAQ![]() | CATECHOL | A | 1KND | 0.76 | ![]() |
CAQ![]() | CATECHOL | B | 2BUQ | 0.76 | ![]() |
CAQ![]() | CATECHOL | A,B | 1DLT | 0.76 | ![]() |
CAQ![]() | CATECHOL | A | 1XEP | 0.76 | ![]() |
CAQ![]() | CATECHOL | A | 2PUM | 0.76 | ![]() |
HE1![]() | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | A,B | 1C8V | 0.77 | ![]() |
HE1![]() | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | A,B | 1C29 | 0.77 | ![]() |
PSY![]() | phenyl ethenesulfonate | A | 3BM8 | 0.72 | ![]() |
PSY![]() | phenyl ethenesulfonate | A | 3BLT | 0.72 | ![]() |
ZTW![]() | RALOXIFENE CORE | A,B | 1GWQ | 0.7 | ![]() |
S24![]() | S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate | A | 2OSF | 0.75 | ![]() |
W29![]() | 4-(3-ethylthiophen-2-yl)benzene- 1,2-diol | A | 3D27 | 0.73 | ![]() |
HTS![]() | 2-MERCAPTOPHENOL | A | 2OSM | 0.74 | ![]() |
TH0![]() | 4-MERCAPTOBENZENE-1,3-DIOL | A | 2OSF | 0.72 | ![]() |
3FA![]() | 3-FLUOROBENZENE-1,2-DIOL | A | 2AS4 | 0.74 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.71 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.71 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.72 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.72 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.71 | ![]() |
TTO![]() | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL- ARSONIUM | A | 1HYZ | 0.75 | ![]() |
8MR![]() | (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID | A,B | 2OW2 | 0.72 | ![]() |
MSB![]() | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.7 | ![]() |
MSB![]() | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.7 | ![]() |