Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01277023
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 |
C41 | ALISKIREN | C,O | 2V0Z | 0.7 |  |
DB1 | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.75 | |
K05 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN- 1-YL)METHYLENE]BENZOHYDRAZIDE | A,B | 2I5J | 0.71 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.71 | |
C61 | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.72 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.75 | |
| VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.75 | |
TN3 | 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)- N-METHYLBENZAMIDE | A,B | 1ZXB | 0.74 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.73 | |
MR1 | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.75 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.8 | |
| V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.8 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.71 | |
BEK | 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE | A | 1KJR | 0.79 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.7 | |
| R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.7 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.73 | |
| 2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.73 | |
| 2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.73 | |
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 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.9 | |
VXX | VANILLATE | A,B | 1WB6 | 0.75 | |
HWG | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.8 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.76 | |
BGF | 2,5-BIS(4-GUANYLPHENYL)FURAN | A | 227D | 0.7 | |
DPA | A,B | 1PIK | 0.74 | | |
296 | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.71 | |
C40 | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.71 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.74 | |
YE6 | 5-(2-chlorophenyl)furan-2-carbohydrazide | A | 2P9A | 0.7 | |
| YE6 | 5-(2-chlorophenyl)furan-2-carbohydrazide | A | 2P99 | 0.7 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.75 | |
ROL | ROLIPRAM | A,B,C,D | 1OYN | 0.74 | |
| ROL | ROLIPRAM | A,B | 1XMY | 0.74 | |
| ROL | ROLIPRAM | A,B,C,D | 1Q9M | 0.74 | |
| ROL | ROLIPRAM | A,B | 1RO6 | 0.74 | |
| ROL | ROLIPRAM | A,B | 1XN0 | 0.74 | |
| ROL | ROLIPRAM | A,B | 1TBB | 0.74 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.7 | |
C39 | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.71 | |
PET | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.71 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.7 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.7 | |
F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLM | 0.74 | |
| F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLF | 0.74 | |
| F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLE | 0.74 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.74 | |
14A | N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY- 3-CHLORO-N-CYCLOPENTYLBENZAMIDE | H,I | 1T4V | 0.72 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.74 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.8 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.74 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.76 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.78 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.73 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.77 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.74 | |
| NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.74 | |
CX6 | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.72 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.73 | |