Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002607
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 |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.81 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.81 | |
BGF | 2,5-BIS(4-GUANYLPHENYL)FURAN | A | 227D | 0.74 | |
GFA | 2-[4-chloro-2-(phenylcarbonyl)phenoxy]- N-phenylacetamide | A | 3DLE | 0.7 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.7 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.7 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.7 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.7 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.7 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,C,D,I,J, K,L | 3EWF | 0.72 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,I,L | 2V5W | 0.72 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | B | 1VDN | 0.72 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | C | 1VAI | 0.72 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.71 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.71 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.73 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.73 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.73 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.73 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.73 | |
NAR | NARINGENIN | A,B | 2UXU | 0.71 | |
NAR | NARINGENIN | A | 2BRT | 0.71 | |
NAR | NARINGENIN | A | 1CGK | 0.71 | |
NAR | NARINGENIN | A,B | 1EYQ | 0.71 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.7 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.71 | |
HWG | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.71 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.71 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.81 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.79 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.79 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.79 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.79 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.79 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.79 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.7 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.76 | |
S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A | 2ZNN | 0.71 | |
S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A,B | 2ZNO | 0.71 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.71 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.7 | |
DB1 | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.77 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.71 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.71 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.74 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.74 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.74 | |
262 | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4D | 0.71 | |
COU | COUMARIN | A | 3CRB | 0.71 | |
COU | COUMARIN | A | 2PMJ | 0.71 | |
COU | COUMARIN | A | 2H90 | 0.71 | |
COU | COUMARIN | A,B,C,D | 1Z10 | 0.71 | |
COU | COUMARIN | A | 2PWB | 0.71 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.75 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.74 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.71 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.75 | |
YE6 | 5-(2-chlorophenyl)furan-2-carbohydrazide | A | 2P9A | 0.7 | |
YE6 | 5-(2-chlorophenyl)furan-2-carbohydrazide | A | 2P99 | 0.7 | |
DID | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.71 | |
14A | N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY- 3-CHLORO-N-CYCLOPENTYLBENZAMIDE | H,I | 1T4V | 0.7 | |
296 | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.74 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.7 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.71 | |
F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLM | 0.73 | |
F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLF | 0.73 | |
F6F | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLE | 0.73 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.71 | |
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 | 0.76 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.8 | |
D18 | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.71 | |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.72 | |
C40 | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.77 | |
BZF | BENZOFURAN | A | 182L | 0.75 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.72 | |
JT6 | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.71 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.77 | |
BEK | 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE | A | 1KJR | 0.77 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.75 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.71 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.71 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.77 | |
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 | 0.7 | |
SBI | SORBINIL | A | 1AH0 | 0.72 | |
SBI | SORBINIL | A | 2PDK | 0.72 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.89 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.83 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.73 | |
BPF | 2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURAN | A,B | 360D | 0.7 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.81 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.81 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.81 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.81 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.81 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.72 |