Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01921287
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 |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3C3U | 0.74 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3CV7 | 0.74 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.73 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.78 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.78 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BV0 | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B,D,F,H,J,L | 1YKP | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1N8Q | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B | 2BSL | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKL | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D | 1B4U | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 3DX5 | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCA | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKN | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 1EOB | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1PHH | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BUV | 0.72 | |
NE1 | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.71 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.85 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.85 | |
A15 | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.72 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.75 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.8 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.72 | |
NE2 | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.7 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.7 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.87 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOD | 0.72 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOE | 0.72 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1PBB | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.71 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.72 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.72 | |
CHB | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 0.83 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.75 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.75 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.75 | |
OAC | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.72 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.74 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.74 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.72 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.71 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.75 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.75 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.74 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.71 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.75 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.75 | |
HC4 | A | 1TS6 | 0.73 | ||
HC4 | A | 3PHY | 0.73 | ||
HC4 | A | 3PYP | 0.73 | ||
HC4 | A | 1T1C | 0.73 | ||
HC4 | A | 1OT6 | 0.73 | ||
HC4 | A | 1TS0 | 0.73 | ||
HC4 | A | 1T1A | 0.73 | ||
HC4 | A | 2PYP | 0.73 | ||
HC4 | A | 2ZOI | 0.73 | ||
HC4 | A | 1OTI | 0.73 | ||
HC4 | A | 1XFQ | 0.73 | ||
HC4 | A | 2D01 | 0.73 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.73 | ||
HC4 | A | 2ZOH | 0.73 | ||
HC4 | A | 1GSW | 0.73 | ||
HC4 | A | 2QJ7 | 0.73 | ||
HC4 | A | 1F9I | 0.73 | ||
HC4 | X | 1UWP | 0.73 | ||
HC4 | A | 2PHY | 0.73 | ||
HC4 | A | 1T1B | 0.73 | ||
HC4 | A | 1F98 | 0.73 | ||
HC4 | A | 1T19 | 0.73 | ||
HC4 | X | 1UWN | 0.73 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.73 | ||
HC4 | A | 1UGU | 0.73 | ||
HC4 | A | 1TS8 | 0.73 | ||
HC4 | A,B | 1OTD | 0.73 | ||
HC4 | A | 1OTE | 0.73 | ||
HC4 | A | 1GSX | 0.73 | ||
HC4 | A | 1TS7 | 0.73 | ||
HC4 | A | 2PYR | 0.73 | ||
HC4 | A | 1S4S | 0.73 | ||
HC4 | A | 1GSV | 0.73 | ||
HC4 | A | 2I9V | 0.73 | ||
HC4 | A | 2QWS | 0.73 | ||
HC4 | A | 1XFN | 0.73 | ||
HC4 | A | 1S4R | 0.73 | ||
HC4 | A | 1T18 | 0.73 | ||
HC4 | A | 1OTA | 0.73 | ||
HC4 | A | 1D7E | 0.73 | ||
HC4 | A | 1S1Z | 0.73 | ||
HC4 | A,B,C | 1MZU | 0.73 | ||
HC4 | A,B | 1ODV | 0.73 | ||
HC4 | A,B | 2J3J | 0.73 | ||
HC4 | A | 2QJ5 | 0.73 | ||
HC4 | A | 1OTB | 0.73 | ||
HC4 | A | 2D02 | 0.73 | ||
HC4 | A | 1OT9 | 0.73 | ||
HC4 | A | 1NWZ | 0.73 | ||
HC4 | A | 1S1Y | 0.73 | ||
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 0.73 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.73 | |
FHB | 3-FLUORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCF | 0.81 | |
34Z | 3,4-dichlorobenzoate | X | 2QVY | 0.73 | |
34Z | 3,4-dichlorobenzoate | X | 2QW0 | 0.73 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.7 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.71 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.76 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.76 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.76 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.76 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.76 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.76 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.76 | |
FLV | FLAVIOLIN | A | 1ZDW | 0.7 | |
FLV | FLAVIOLIN | A | 1T93 | 0.7 | |
FLV | FLAVIOLIN | A | 2D09 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.79 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.79 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.79 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.79 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.79 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.79 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.72 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.72 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.75 | |
26C | A,B | 2F7I | 0.74 | ||
FE3 | 4-(2-aminoethyl)-3-chlorobenzoic acid | A,B | 2K1Q | 0.7 | |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.76 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.76 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ4 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOB | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXB | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1G1B | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1YKJ | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUV | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PBE | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCC | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PDH | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUW | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC4 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC6 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUW | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1FW9 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1G81 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGJ | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUX | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ3 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1D7L | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 2PHH | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGN | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXA | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOC | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1K0I | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BKW | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1JD3 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXC | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1TT8 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ2 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1Q4S | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BF3 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUR | 0.78 | |
789 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.75 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.78 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.7 | |
4FC | A | 1YSG | 0.74 | ||
OMD | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1AJP | 0.71 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.74 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.74 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.74 | |
A18 | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.73 | |
FCD | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.71 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.73 | |
YRG | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.7 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.72 | |
FBC | A,B | 2B9A | 0.74 | ||
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.8 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.8 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.8 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.8 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.8 | |
3HP | 3-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCE | 0.74 | |
GEN | GENISTEIN | A | 1QKM | 0.7 | |
GEN | GENISTEIN | A,B | 1X7J | 0.7 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.7 | |
GEN | GENISTEIN | A | 1X7R | 0.7 | |
IHB | 3-IODO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCI | 0.76 | |
3CA | A,B | 2B77 | 0.82 | ||
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.71 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.71 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.71 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.71 | |
FHI | A,B | 1Y1D | 0.75 | ||
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.74 |