Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01308039
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 |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.77 | ![]() |
APE![]() | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.71 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.75 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.72 | ![]() |
SRB![]() | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.72 | ![]() |
SMK![]() | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(2-aminoethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B | 3EYL | 0.71 | ![]() |
CPU![]() | A,B | 1CR6 | 0.84 | ![]() | |
FA4![]() | SM-25453 | A,B | 2D1O | 0.71 | ![]() |
FA4![]() | SM-25453 | A,B | 2D1N | 0.71 | ![]() |
JNH![]() | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.71 | ![]() |
SRD![]() | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.72 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.71 | ![]() |
5FH![]() | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.7 | ![]() |
998![]() | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.73 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.72 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.73 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.73 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.73 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.73 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.73 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.73 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.73 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.72 | ![]() |
BI6![]() | (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)- 6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}- 5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2- A]AZOCINE-3-CARBOXAMIDE | A | 2JK7 | 0.7 | ![]() |
AGB![]() | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.7 | ![]() |
419![]() | N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl- 3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol- 6-yl]-2,2-diphenylacetamide | A,B | 3F7H | 0.71 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.75 | ![]() |
N2T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.81 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.74 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.74 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.71 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.73 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.73 | ![]() |
N9H![]() | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)- N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H- PYRAZOLE-1-CARBOXAMIDE | A,B | 2G1Q | 0.76 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.71 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.71 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.71 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.72 | ![]() |
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 | ![]() |
N5T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.79 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.7 | ![]() |
44U![]() | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.72 | ![]() |
MIN![]() | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.71 | ![]() |
N4T![]() | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.72 | ![]() |
BAC![]() | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.72 | ![]() |