Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01713642
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 |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.75 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.73 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.7 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.72 | |
216 | [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO- 5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7- BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE | B | 1HWR | 0.71 | |
FA4 | SM-25453 | A,B | 2D1O | 0.71 | |
FA4 | SM-25453 | A,B | 2D1N | 0.71 | |
CPU | A,B | 1CR6 | 0.78 | ||
CT1 | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.7 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.7 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.7 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.7 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.71 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.74 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.71 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
Y14 | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin- 3-yl]amino}-1-(cyclohexylmethyl)- 2-oxoethyl]morpholine-4-carboxamide | A,B | 2R9N | 0.7 | |
J54 | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.76 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.74 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.72 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.71 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.73 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.73 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.73 | |
MKC | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.74 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.71 | |
412 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE | A | 1ZML | 0.71 | |
BAV | (3S,14R,16S)-16-[(1R)-1-hydroxy- 2-{[3-(1-methylethyl)benzyl]amino}ethyl]- 3,4,14-trimethyl-1,4-diazacyclohexadecane- 2,5-dione | A,B,C | 3DV5 | 0.73 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.71 | |
N9H | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)- N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H- PYRAZOLE-1-CARBOXAMIDE | A,B | 2G1Q | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.79 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.79 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.79 | |
GCA | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL- 5-ISOPROPYLURACIL | A | 1C1B | 0.75 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.7 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.71 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.74 |