Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00633473
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 | |
AZN | ALIZARIN RED | H,I,J,K,L,M, N,O | 1OAR | 0.72 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.78 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.78 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.78 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.78 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.78 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.78 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOD | 0.74 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOE | 0.74 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1PBB | 0.74 | |
3CA | A,B | 2B77 | 0.7 | ||
SAL | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 0.77 | |
FHB | 3-FLUORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCF | 0.7 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.7 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.7 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.7 | |
219 | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.79 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.7 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.7 | |
2PB | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE | A | 1SDE | 0.7 | |
GRE | 2,6-DIHYDROXYBENZOIC ACID | A,B,C,D | 2DVU | 0.75 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.74 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.74 | |
OBP | A,B | 2DE3 | 0.7 | ||
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.75 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.75 | |
DIU | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A,B | 3B56 | 0.73 | |
DIU | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A | 2BXL | 0.73 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.72 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 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 | |
ZTW | RALOXIFENE CORE | A,B | 1GWQ | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.7 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.7 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.7 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.7 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.7 | |
GEN | GENISTEIN | A | 1QKM | 0.71 | |
GEN | GENISTEIN | A,B | 1X7J | 0.71 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.71 | |
GEN | GENISTEIN | A | 1X7R | 0.71 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.73 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.73 | |
IHB | 3-IODO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCI | 0.7 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | |
23A | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.78 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.7 | |
299 | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4E | 0.74 | |
FHI | A,B | 1Y1D | 0.72 | ||
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3CMP | 0.73 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MD9 | 0.73 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MDB | 0.73 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 1L6M | 0.73 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3BY0 | 0.73 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.77 | |
EMT | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B | 1KDG | 0.73 | |
EMT | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B,C,D | 1O9L | 0.73 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.71 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.72 | |
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 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.71 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.71 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.81 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.7 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.72 | |
262 | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4D | 0.77 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.75 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.7 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.7 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.74 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.74 | |
159 | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)- BENZOIC ACID | A,B | 1NME | 0.72 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ4 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOB | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXB | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1G1B | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1YKJ | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUV | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PBE | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCC | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PDH | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUW | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC4 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC6 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUW | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1FW9 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1G81 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGJ | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUX | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ3 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1D7L | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 2PHH | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGN | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXA | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOC | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1K0I | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BKW | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1JD3 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXC | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1TT8 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ2 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1Q4S | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BF3 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUR | 0.72 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.77 |